1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)-

Modify Date: 2025-09-10 02:59:29

1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)- Structure
1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)- structure
 Common Name 1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)-
CAS Number 83521-87-3 Molecular Weight 264.42900
Density 1.296g/cm3 Boiling Point 405.6ºC at 760 mmHg
Molecular Formula C13H12S3 Melting Point N/A
MSDS N/A Flash Point 199.1ºC

 Names

Name 2-phenyl-2-thiophen-2-yl-1,3-dithiolane

 Chemical & Physical Properties

Density 1.296g/cm3
Boiling Point 405.6ºC at 760 mmHg
Molecular Formula C13H12S3
Molecular Weight 264.42900
Flash Point 199.1ºC
Exact Mass 264.01000
PSA 78.84000
LogP 4.42920
Index of Refraction 1.682
InChIKey XUAUFQHMFHDIDV-UHFFFAOYSA-N
SMILES c1ccc(C2(c3cccs3)SCCS2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JP1178000
CHEMICAL NAME :
1,3-Dithiolane, 2-phenyl-2-(2-thienyl)-
CAS REGISTRY NUMBER :
83521-87-3
BEILSTEIN REFERENCE NO. :
0014848
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-S3
MOLECULAR WEIGHT :
264.43
WISWESSER LINE NOTATION :
T5S CSTJ BR B- BT5SJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 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: 17,235,1982

 Safety Information

HS Code 2934999090

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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