allyl thiocyanate

Names

[ CAS No. ]:
764-49-8

[ Name ]:
allyl thiocyanate

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

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

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

Click to get detail synthetic route

Related Compounds

  • 3-chloro-allyl thiocyanate
  • Allyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
  • ALLYL N-[2-(METHYLAMINO)ETHYL]CARBAMATE
  • allyl N-chloroacetyl-2,6-diethylanilinoacetate
  • Allyl diglycol carbonate
  • allyl N-cyclohexylcarbamate
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-3-(3-methylphenylsulfonamido)propanamide
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-4-(2-methoxyethoxy)benzamide
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-4-(thiophen-2-yl)benzamide
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-3-(4-oxoquinazolin-3(4H)-yl)propanamide
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-2-(6-oxopyridazin-1(6H)-yl)acetamide
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
  • 1-(4-fluorophenyl)-N-((2-(furan-2-yl)pyridin-4-yl)methyl)cyclopropanecarboxamide
  • 1-((2-(Furan-2-yl)pyridin-4-yl)methyl)-3-(naphthalen-1-ylmethyl)urea
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-3-methylbenzenesulfonamide
  • N-((2-(furan-2-yl)pyridin-4-yl)methyl)-1-isopropyl-1H-imidazole-4-sulfonamide
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