Propanedinitrile, 1,3-dithietan-2-ylidene

Modify Date: 2025-09-19 11:42:25

Propanedinitrile, 1,3-dithietan-2-ylidene Structure
Propanedinitrile, 1,3-dithietan-2-ylidene structure
Common Name Propanedinitrile, 1,3-dithietan-2-ylidene
CAS Number 6008-60-2 Molecular Weight 154.21300
Density 1.564g/cm3 Boiling Point 266.7ºC at 760 mmHg
Molecular Formula C5H2N2S2 Melting Point N/A
MSDS N/A Flash Point 115.1ºC

 Names

Name 2-(1,3-dithietan-2-ylidene)propanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.564g/cm3
Boiling Point 266.7ºC at 760 mmHg
Molecular Formula C5H2N2S2
Molecular Weight 154.21300
Flash Point 115.1ºC
Exact Mass 153.96600
PSA 98.18000
LogP 1.68266
Index of Refraction 1.717
InChIKey ZKJSHCHPIMUIFQ-UHFFFAOYSA-N
SMILES N#CC(C#N)=C1SCS1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY1406666
CHEMICAL NAME :
Propanedinitrile, 1,3-dithietan-2-ylidene-
CAS REGISTRY NUMBER :
6008-60-2
LAST UPDATED :
199806
DATA ITEMS CITED :
3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes Blood - hemorrhage
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545725
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
126 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes Blood - hemorrhage
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545725

 Synthetic Route

~%

Propanedinitrile, 1,3-dithietan-2-ylidene Structure

Propanedinitril...

CAS#:6008-60-2

Literature: Bock, Hans; Hirabayashi, Takakuni; Mohmand, Shamsher Chemische Berichte, 1982 , vol. 115, # 2 p. 492 - 503

 Synonyms

2-Dicyanmethylen-1,3-dithietan
1,3-Dithian-2-carbonsaeure-dimethylamid
1,3-dithiane-2-carboxamide,N,N-dimethyl
N,N-Dimethyl-1,3-dithian-2-carboxamid
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