1,5-Benzothiazepin-4(5H)-one,2-methyl-

Modify Date: 2025-10-21 07:11:13

1,5-Benzothiazepin-4(5H)-one,2-methyl- structure	Common Name	1,5-Benzothiazepin-4(5H)-one,2-methyl-
	CAS Number	63870-02-0	Molecular Weight	191.25000
	Density	1.215g/cm3	Boiling Point	355.7ºC at 760 mmHg
	Molecular Formula	C₁₀H₉NOS	Melting Point	N/A
	MSDS	N/A	Flash Point	168.9ºC

Name	2-methyl-5H-1,5-benzothiazepin-4-one
Synonym	More Synonyms

Density	1.215g/cm3
Boiling Point	355.7ºC at 760 mmHg
Molecular Formula	C₁₀H₉NOS
Molecular Weight	191.25000
Flash Point	168.9ºC
Exact Mass	191.04000
PSA	54.40000
LogP	2.77260
Index of Refraction	1.607
InChIKey	XMCREDZXYDRQBF-UHFFFAOYSA-N
SMILES	CC1=CC(=O)Nc2ccccc2S1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL0650000

CHEMICAL NAME :: 1,5-Benzothiazepin-4(5H)-one, 2-methyl-

CAS REGISTRY NUMBER :: 63870-02-0

BEILSTEIN REFERENCE NO. :: 0143616

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H9-N-O-S

MOLECULAR WEIGHT :: 191.26

WISWESSER LINE NOTATION :: T67 GMV KSJ J1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

HS Code	2934999090

Ethyl acetoacetate

CAS#:141-97-9

2-Aminothiophenol

CAS#:137-07-5

~78%

1,5-Benzothiaze...

CAS#:63870-02-0

Literature: Bajaj, Kiran; Srivastava; Kumar, Ashok Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 5 p. 1149 - 1155

Precursor 2
CAS#:141-97-9 Ethyl acetoacetate CAS#:137-07-5 2-Aminothiophenol
DownStream 0

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

einecs 264-521-7

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

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Synonyms

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.