2-methyl-2-phenyl-1,3-dithiolane

Modify Date: 2025-08-25 17:15:33

2-methyl-2-phenyl-1,3-dithiolane Structure
2-methyl-2-phenyl-1,3-dithiolane structure
Common Name 2-methyl-2-phenyl-1,3-dithiolane
CAS Number 5769-02-8 Molecular Weight 196.33200
Density 1.152g/cm3 Boiling Point 305.2ºC at 760 mmHg
Molecular Formula C10H12S2 Melting Point N/A
MSDS N/A Flash Point 141.6ºC

 Names

Name 2-methyl-2-phenyl-1,3-dithiolane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.152g/cm3
Boiling Point 305.2ºC at 760 mmHg
Molecular Formula C10H12S2
Molecular Weight 196.33200
Flash Point 141.6ºC
Exact Mass 196.03800
PSA 50.60000
LogP 3.33930
Index of Refraction 1.612
InChIKey NCOLUSQXCWLHEK-UHFFFAOYSA-N
SMILES CC1(c2ccccc2)SCCS1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JP1170000
CHEMICAL NAME :
1,3-Dithiolane, 2-methyl-2-phenyl-
CAS REGISTRY NUMBER :
5769-02-8
LAST UPDATED :
199007
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-S2
MOLECULAR WEIGHT :
196.34
WISWESSER LINE NOTATION :
T5S CSTJ B1 BR

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 :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 5,327,1970

 Synthetic Route

 Synonyms

2-phenyl-2-methyl-1,3-diothiolane
NCOLUSQXCWLHEK-UHFFFAOYSA
2-methylphenyl-1,3-dithiolane
1,3-DITHIOLANE,2-METHYL-2-PHENYL
acetophenone dithioketal
2-phenyl-2-methyl-1,3-dithiolane
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