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

Modify Date: 2025-09-07 21:14:58

1,5-Benzothiazepin-4(5H)-one, 2-phenyl- Structure
1,5-Benzothiazepin-4(5H)-one, 2-phenyl- structure
Common Name 1,5-Benzothiazepin-4(5H)-one, 2-phenyl-
CAS Number 5667-03-8 Molecular Weight 253.31900
Density 1.257g/cm3 Boiling Point 458.3ºC at 760 mmHg
Molecular Formula C15H11NOS Melting Point N/A
MSDS N/A Flash Point 231ºC

 Names

Name 2-phenyl-5H-1,5-benzothiazepin-4-one

 Chemical & Physical Properties

Density 1.257g/cm3
Boiling Point 458.3ºC at 760 mmHg
Molecular Formula C15H11NOS
Molecular Weight 253.31900
Flash Point 231ºC
Exact Mass 253.05600
PSA 54.40000
LogP 3.90990
Index of Refraction 1.656
InChIKey DWHHMNUHVCUPMD-UHFFFAOYSA-N
SMILES O=C1C=C(c2ccccc2)Sc2ccccc2N1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL0675000
CHEMICAL NAME :
1,5-Benzothiazepin-4(5H)-one, 2-phenyl-
CAS REGISTRY NUMBER :
5667-03-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H11-N-O-S
MOLECULAR WEIGHT :
253.33
WISWESSER LINE NOTATION :
T67 GMV KSJ JR

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

 Synthetic Route

~30%

1,5-Benzothiazepin-4(5H)-one, 2-phenyl- Structure

1,5-Benzothiaze...

CAS#:5667-03-8

Literature: Hofmann, Hans; Fischer, Herbert; Bremer, Matthias Chemische Berichte, 1987 , vol. 120, p. 2087 - 2089

~20%

1,5-Benzothiazepin-4(5H)-one, 2-phenyl- Structure

1,5-Benzothiaze...

CAS#:5667-03-8

Literature: Kaupp, Gerd; Gruendken, Eleonore; Matthies, Doris Chemische Berichte, 1986 , vol. 119, # 10 p. 3109 - 3120

~%

1,5-Benzothiazepin-4(5H)-one, 2-phenyl- Structure

1,5-Benzothiaze...

CAS#:5667-03-8

Literature: Kugita,H. et al. Chemical and Pharmaceutical Bulletin, 1971 , vol. 19, p. 595 - 602

~%

1,5-Benzothiazepin-4(5H)-one, 2-phenyl- Structure

1,5-Benzothiaze...

CAS#:5667-03-8

Literature: Kugita,H. et al. Chemical and Pharmaceutical Bulletin, 1971 , vol. 19, p. 595 - 602
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