6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

Modify Date: 2025-11-25 14:21:18

6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol structure	Common Name	6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
	CAS Number	26638-56-2	Molecular Weight	275.32300
	Density	1.387g/cm3	Boiling Point	455.2ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₃NO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	229.1ºC

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

Name	6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol
Synonym	More Synonyms

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

Density	1.387g/cm3
Boiling Point	455.2ºC at 760 mmHg
Molecular Formula	C₁₄H₁₃NO₃S
Molecular Weight	275.32300
Flash Point	229.1ºC
Exact Mass	275.06200
PSA	65.99000
LogP	3.05260
Vapour Pressure	4.45E-09mmHg at 25°C
Index of Refraction	1.655
InChIKey	UOFSLQBECAIORT-UHFFFAOYSA-N
SMILES	CN1c2ccccc2C(O)c2ccccc2S1(=O)=O

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HQ2316000

CHEMICAL NAME :: Dibenzo(c,f)(1,2)thiazepin-11-ol, 6,11-dihydro-6-methyl-, 5,5-dioxide

CAS REGISTRY NUMBER :: 26638-56-2

LAST UPDATED :: 199803

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H13-N-O3-S

MOLECULAR WEIGHT :: 275.34

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 :: >750 mg/kg

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

REFERENCE :: ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 327,157,1994

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

6-methyl-5,5-di...

CAS#:26638-46-0

~85%

6-methyl-5,5-di...

CAS#:26638-56-2

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Literature: Gilleron, Pauline; Wlodarczyk, Nicolas; Houssin, Raymond; Farce, Amaury; Laconde, Guillaume; Goossens, Jean-Francois; Lemoine, Amelie; Pommery, Nicole; Henichart, Jean-Pierre; Millet, Regis Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 19 p. 5465 - 5471

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 1
CAS#:26638-46-0 6-methyl-5,5-di...
DownStream 0

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

5,11-Dihydro-10,10-dioxo-5-hydroxy-11-methyl-dibenzo-<c,f>-thiazepin

6,11-dihydro-11-hydroxy-6-methyl-dibenzo<c,f><1,2>thiazepine S,S-dioxide

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

Q: What is the molecular formula of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: Molecular formula of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is C14H13NO3S.

Q: What English synonyms does 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol have?

A: English synonyms of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol: 5,11-Dihydro-10,10-dioxo-5-hydroxy-11-methyl-dibenzo--thiazepin, 6,11-dihydro-11-hydroxy-6-methyl-dibenzothiazepine S,S-dioxide.

Q: What is the SMILES notation of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: SMILES notation of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is CN1c2ccccc2C(O)c2ccccc2S1(=O)=O.

Q: What are the upstream materials of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: Related upstream materials(CAS) of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol: 26638-46-0.

Q: What is the LogP of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: LogP of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is 3.05260.

Q: What is the molecular weight of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: Molecular weight of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is 275.32300.

Q: What is the InChIKey of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: InChIKey of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is UOFSLQBECAIORT-UHFFFAOYSA-N.

Q: What is the Chinese name of 26638-56-2?

A: Chinese name of 26638-56-2 is 26638-56-2.

Q: What is the English name of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: The English name of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol.

Q: What is the polar surface area (PSA) of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol?

A: Polar surface area (PSA) of 6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol is 65.99000.

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6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-ol

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

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Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.