ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Names

[ CAS No. ]:
42076-12-0

[ Name ]:
ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

[Synonym ]:
N-(3-carbethoxy-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-N'-phenylthiourea
Benzo(b)thiophene-3-carboxylic acid,4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-,ethyl ester
ethyl 2-{[(phenylamino)thioxomethyl]amino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
1-(3'-Carbethoxy-4'.5'.6'.7'-tetrahydrobenzothiophen-2'-yl)-3-phenylthiourea
N1-(3-carbethoxy-4,5,6,7-tetrahydrobenzo<b>thien-2-yl)-N2-phenylthiourea
ethyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2-(3-phenylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester
3-ethoxycarbonyl-2-(3-phenylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene

Chemical & Physical Properties

[ Density]:
1.342g/cm3

[ Boiling Point ]:
524.6ºC at 760 mmHg

[ Molecular Formula ]:
C18H20N2O2S2

[ Molecular Weight ]:
360.49400

[ Flash Point ]:
271.1ºC

[ Exact Mass ]:
360.09700

[ PSA ]:
117.73000

[ LogP ]:
4.90600

[ Index of Refraction ]:
1.701

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9609310
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl) amino)-, ethyl ester
CAS REGISTRY NUMBER :
42076-12-0
BEILSTEIN REFERENCE NO. :
1437884
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H20-N2-O2-S2
MOLECULAR WEIGHT :
360.52

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Lungs, Thorax, or Respiration - other changes
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,635,1990

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2-(3-{[(Benzyloxy)carbonyl]amino}-2-oxopiperidin-1-yl)acetic acid
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 3-Ethyl-1-methyl-1,2,3,4-tetrahydro-isoquinoline
  • 4-[(Cyclohexylmethyl)amino]-1-butanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde