allyl thiocyanate

Modify Date: 2024-01-09 19:55:45

allyl thiocyanate Structure
allyl thiocyanate structure
Common Name allyl thiocyanate
CAS Number 764-49-8 Molecular Weight 99.15420
Density 1.022g/cm3 Boiling Point 162ºC at 760 mmHg
Molecular Formula C4H5NS Melting Point N/A
MSDS N/A Flash Point 51.8ºC

 Names

Name allyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.022g/cm3
Boiling Point 162ºC at 760 mmHg
Molecular Formula C4H5NS
Molecular Weight 99.15420
Flash Point 51.8ºC
Exact Mass 99.01430
PSA 49.09000
LogP 1.38668
Index of Refraction 1.493
InChIKey IFVYHJRLWCUVBB-UHFFFAOYSA-N
SMILES C=CCSC#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL2000000
CHEMICAL NAME :
Thiocyanic acid, 2-propenyl ester
CAS REGISTRY NUMBER :
764-49-8
BEILSTEIN REFERENCE NO. :
1739294
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H5-N-S
MOLECULAR WEIGHT :
99.16
WISWESSER LINE NOTATION :
NCS2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930

 Synthetic Route

 Synonyms

Allylthiocyanat
3-Thiocyanato-propen
Thiocyansaeure-allylester
Allylrhodanid
thiocyanic acid,2-propenyl ester
Thiocyanic acid allyl
Thiocyanic acid allyl ester
3-Thiocyanato-1-propene
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