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