Albutoin

Modify Date: 2026-07-16 18:08:04

Albutoin structure	Common Name	Albutoin
	CAS Number	830-89-7	Molecular Weight	212.31200
	Density	1.12g/cm3	Boiling Point	275.2ºC at 760 mmHg
	Molecular Formula	C₁₀H₁₆N₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	120.3ºC

Use of Albutoin

Albutoin (BAX 422Z), an anticonvulsant agent, is a thiohydantoin derivative used for the research of grand mal epilepsies[1].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Albutoin (BAX 422Z), an anticonvulsant agent, is a thiohydantoin derivative used for the research of grand mal epilepsies[1].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease
References	[1]. Herdson PB, et al. Electron microscope studies on enzyme activity and the isolation of thiohydantoin-induced myelin figures in rat liver. J Cell Biol. 1965;25(3):485-493. [2]. Millichap JG, et al. Albutoin, a new thiohydantoin derivative for grand mal epilepsies. Comparison with diphenylhydantoin in a double-blind, controlled study. Neurology. 1967;17(2):162-165.

Description

Albutoin (BAX 422Z), an anticonvulsant agent, is a thiohydantoin derivative used for the research of grand mal epilepsies[1].

Related Catalog

Signaling Pathways >> Others >> Others

Research Areas >> Neurological Disease

References

[1]. Herdson PB, et al. Electron microscope studies on enzyme activity and the isolation of thiohydantoin-induced myelin figures in rat liver. J Cell Biol. 1965;25(3):485-493.

[2]. Millichap JG, et al. Albutoin, a new thiohydantoin derivative for grand mal epilepsies. Comparison with diphenylhydantoin in a double-blind, controlled study. Neurology. 1967;17(2):162-165.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.12g/cm3
Boiling Point	275.2ºC at 760 mmHg
Molecular Formula	C₁₀H₁₆N₂OS
Molecular Weight	212.31200
Flash Point	120.3ºC
Exact Mass	212.09800
PSA	71.47000
LogP	1.08860
Index of Refraction	1.558
InChIKey	RATGSRSDPNECNO-UHFFFAOYSA-N
SMILES	C=CCN1C(=O)C(CC(C)C)NC1=S

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ0775300

CHEMICAL NAME :: 4-Imidazolidinone, 5-(2-methylpropyl)-3-(2-propenyl)-2-thioxo-

CAS REGISTRY NUMBER :: 830-89-7

BEILSTEIN REFERENCE NO. :: 0163719

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H16-N2-O-S

MOLECULAR WEIGHT :: 212.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 785 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 294 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg/10D-I

TOXIC EFFECTS :: Endocrine - evidence of thyroid hypofunction Endocrine - changes in thyroid weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10200 mg/kg/17D-I

TOXIC EFFECTS :: Behavioral - tolerance

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code	2933990090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Allyl isothiocyanate

CAS#:57-06-7

Albutoin

CAS#:830-89-7

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Literature: Oba et al. Nippon Shashin Gakkaishi, 1950 , vol. 13, p. 103,107 Chem.Abstr., 1952 , p. 3885

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: insulin secretion from INS-1E cells in the presence of 5 mM glucose-screen
Source: 846
Target: N/A
External Id: 5mMGluc_INS1E_InsulinRelease_40mMGluc_SP

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535

Name: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...
Source: NCGC
External Id: CYP3A4437

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2D6395

Name: GSK3B-pretreated HCT116 viability from Cell TiterGlo-screen
Source: 846
Target: N/A
External Id: GSK3b_inh_pretreated_Viability_ATP_HCT116_SP

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) sign...
Source: 824
Target: N/A
External Id: MDAV150

Name: Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2C9536

Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979

Total 84, Current Page 1 of 9

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-Allyl-5-isobutyl-2-thiohydantoin

BAX 422 Z

Euprax

3-allyl-5-isobutyl-2-thioxo-imidazolidin-4-one

ALBUTOIN

Coord

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: InChIKey of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is RATGSRSDPNECNO-UHFFFAOYSA-N.

Q: What is the LogP of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: LogP of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is 1.08860.

Q: What is the CAS number of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: CAS number of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is 830-89-7.

Q: What is the SMILES notation of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: SMILES notation of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(CC(C)C)NC1=S.

Q: What English synonyms does 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one have?

A: English synonyms of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one: 3-Allyl-5-isobutyl-2-thiohydantoin, BAX 422 Z, Euprax, 3-allyl-5-isobutyl-2-thioxo-imidazolidin-4-one, ALBUTOIN, Coord.

Q: What is the English name of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: The English name of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Q: What are the uses of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: Main uses of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one: Albutoin (BAX 422Z), an anticonvulsant agent, is a thiohydantoin derivative used for the research of grand mal epilepsies[1].

Q: What is the polar surface area (PSA) of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: Polar surface area (PSA) of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is 71.47000.

Q: What is the boiling point of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: Boiling point of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is 275.2ºC at 760 mmHg.

Q: What is the molecular weight of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?

A: Molecular weight of 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is 212.31200.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Albutoin
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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