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