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

Modify Date: 2024-01-07 12:39:48

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

 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

2-Aminothiophenol structure

2-Aminothiophenol

CAS#:137-07-5

3-Phenylpropiolic acid structure

3-Phenylpropiol...

CAS#:637-44-5

~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
2-Aminothiophenol structure

2-Aminothiophenol

CAS#:137-07-5

3-Phenylpropiolic acid structure

3-Phenylpropiol...

CAS#:637-44-5

~20%

(Z)-2-Benzyliden-2H-1,4-benzothiazin-3(4H)-on structure

(Z)-2-Benzylide...

CAS#:55043-20-4

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
3-hydroxy-2-phenyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one structure

3-hydroxy-2-phe...

CAS#:27068-82-2

~%

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
3-acetoxy-2-phenyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one structure

3-acetoxy-2-phe...

CAS#:31966-80-0

~%

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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