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

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Names

[ CAS No. ]:
5667-03-8

[ Name ]:
1,5-Benzothiazepin-4(5H)-one, 2-phenyl-

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Aminothiophenol
  • 3-Phenylpropiolic acid

DownStream

  • 4-methoxy-2-phenyl-1,5-benzothiazepine
  • 2-Methylbenzothiazole
  • 1-METHYL-4-PHENYL-1H-QUINOLIN-2-ONE

Related Compounds

  • 1,5-Benzothiazepin-4(5H)-one,2-methyl-
  • trans-2,3-dihydro-3-methyl-2-phenyl-1,5-benzothiazepin-4(5H)-one
  • (-)-cis-2,3-dihydro-2-phenyl-3-piperazinylmethyl-1,5-benzothiazepin-4(5H)-one dihydrochloride
  • (2S-CIS)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
  • 2-PHENYL-2,3-DIHYDROBENZO[B][1,4]THIAZEPIN-4(5H)-ONE
  • 1-oxo-2-phenyl-3,5-dihydro-2H-1λ4,5-benzothiazepin-4-one