4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione

Modify Date: 2025-08-25 17:10:17

4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione Structure
4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione structure
 Common Name 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
CAS Number 128368-39-8 Molecular Weight 395.58400
Density 1.34g/cm3 Boiling Point 589.3ºC at 760 mmHg
Molecular Formula C22H25N3S2 Melting Point N/A
MSDS N/A Flash Point 310.2ºC

 Names

Name 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 589.3ºC at 760 mmHg
Molecular Formula C22H25N3S2
Molecular Weight 395.58400
Flash Point 310.2ºC
Exact Mass 395.14900
PSA 81.39000
LogP 5.40680
Vapour Pressure 7.29E-14mmHg at 25°C
Index of Refraction 1.731
InChIKey XRPYAVAJZMYYBL-UHFFFAOYSA-N
SMILES S=c1nc2sc3c(c2c(-c2ccccc2)n1CCN1CCCC1)CCCC3

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL8351000
CHEMICAL NAME :
(1)Benzothieno(2,3-d)pyrimidine-2(3H)-thione, 5,6,7,8-tetrahydro-4-phenyl-3-(2- pyrrolidinyl)ethyl)-
CAS REGISTRY NUMBER :
128368-39-8
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C22-H25-N3-S2
MOLECULAR WEIGHT :
395.62

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#:128368-39-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione>> amp version: 4-phenyl-3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione

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