O-ethyl N-prop-2-enylcarbamothioate

Names

[ CAS No. ]:
817-97-0

[ Name ]:
O-ethyl N-prop-2-enylcarbamothioate

[Synonym ]:
O-Ethyl 2-propenylcarbamothioate
N-Allyl-thiourethan
N-allyl O-ethyl thiocarbamate
N-Allyl-O-ethylthionocarbamate
allyl-thiocarbamic acid O-ethyl ester
N-Allylthiocarbamic acid O-ethyl ester
WLN: SUYO2&Allyl-thiocarbamidsaeure-O-aethylester
M2U1
CARBAMIC ACID,N-ALLYLTHIO-,O-ETHYL ESTER
O-Ethyl allylthiocarbamate

Chemical & Physical Properties

[ Density]:
1.016g/cm3

[ Boiling Point ]:
170ºC at 760 mmHg

[ Molecular Formula ]:
C6H11NOS

[ Molecular Weight ]:
145.22300

[ Flash Point ]:
56.6ºC

[ Exact Mass ]:
145.05600

[ PSA ]:
53.35000

[ LogP ]:
1.47430

[ Index of Refraction ]:
1.502

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EY8513500
CHEMICAL NAME :
Carbamic acid, N-allylthio-, O-ethyl ester
CAS REGISTRY NUMBER :
817-97-0
BEILSTEIN REFERENCE NO. :
1756412
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H11-N-O-S
MOLECULAR WEIGHT :
145.24
WISWESSER LINE NOTATION :
SUYO2&M2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00499

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Allyl isothiocyanate
  • potassium ethylxanthate
  • Allylamine
  • Sodium ethoxide
  • Ethanol

DownStream

  • 3-(prop-2-enylcarbamoylsulfanyl)propanoic acid
  • 3-prop-2-enylthiazolidine-2,4-dione

Related Compounds

  • 1-ethylsulfanyl-N-prop-2-enyl-formamide
  • O-pentyl N-prop-2-enylcarbamothioate
  • O-methyl N-prop-2-enylcarbamothioate
  • O-ethyl N-(2-cyclohexylethyl)carbamothioate
  • O-ethyl N-(2-methylprop-2-enyl)-N-propan-2-ylcarbamothioate
  • O-ethyl N-(2-methylpropyl)carbamothioate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Tiotropium bromide monohydrate impurity H [EP impurity]
  • 5-(Cyclohexylmethoxy)pyridin-3-ol
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (3,5-Dichloro-2-methoxyphenyl)methanamine;hydrochloride
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde