O-ethyl N-prop-2-enylcarbamothioate

Modify Date: 2025-09-21 17:37:17

O-ethyl N-prop-2-enylcarbamothioate Structure
O-ethyl N-prop-2-enylcarbamothioate structure
Common Name O-ethyl N-prop-2-enylcarbamothioate
CAS Number 817-97-0 Molecular Weight 145.22300
Density 1.016g/cm3 Boiling Point 170ºC at 760 mmHg
Molecular Formula C6H11NOS Melting Point N/A
MSDS N/A Flash Point 56.6ºC

 Names

Name O-ethyl N-prop-2-enylcarbamothioate
Synonym More Synonyms

 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
InChIKey ZRPRNLNEYWYWLO-UHFFFAOYSA-N
SMILES C=CCNC(=S)OCC

 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

~91%

O-ethyl N-prop-2-enylcarbamothioate Structure

O-ethyl N-prop-...

CAS#:817-97-0

Literature: American Cyanamid Company Patent: US4456560 A1, 1984 ;

~94%

O-ethyl N-prop-2-enylcarbamothioate Structure

O-ethyl N-prop-...

CAS#:817-97-0

Literature: Scully, Frank E.; Ortega, Teresita Journal of Organic Chemistry, 1989 , vol. 54, # 12 p. 2978 - 2980

~%

O-ethyl N-prop-2-enylcarbamothioate Structure

O-ethyl N-prop-...

CAS#:817-97-0

Literature: Ettlinger; Hodgkins Journal of the American Chemical Society, 1955 , vol. 77, p. 1831,1834

~80%

O-ethyl N-prop-2-enylcarbamothioate Structure

O-ethyl N-prop-...

CAS#:817-97-0

Literature: Breme, Katharina; Fernandez, Xavier; Meierhenrich, Uwe J.; Brevard, Hugues; Joulain, Daniel Journal of Agricultural and Food Chemistry, 2007 , vol. 55, # 5 p. 1932 - 1938

 Synonyms

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
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