3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione

Modify Date: 2025-08-25 19:29:07

3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione Structure
3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione structure
 Common Name 3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
CAS Number 128352-87-4 Molecular Weight 376.53800
Density 1.35g/cm3 Boiling Point 504.8ºC at 760 mmHg
Molecular Formula C22H20N2S2 Melting Point N/A
MSDS N/A Flash Point 259.1ºC

 Names

Name 3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione

 Chemical & Physical Properties

Density 1.35g/cm3
Boiling Point 504.8ºC at 760 mmHg
Molecular Formula C22H20N2S2
Molecular Weight 376.53800
Flash Point 259.1ºC
Exact Mass 376.10700
PSA 82.64000
LogP 5.65440
Vapour Pressure 2.58E-10mmHg at 25°C
Index of Refraction 1.741
InChIKey RZIARTSEBYXVAW-UHFFFAOYSA-N
SMILES S=C1Nc2sc3c(c2C(c2ccccc2)N1c1ccccc1)CCCC3

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL8265650
CHEMICAL NAME :
(1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3,4-diphenyl-
CAS REGISTRY NUMBER :
128352-87-4
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C22-H20-N2-S2
MOLECULAR WEIGHT :
376.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 327,779,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 26,323,1991
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Chemsrc provides CAS#:128352-87-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione>> amp version: 3,4-diphenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione

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