Thiocyanic acid carbamoylmethyl ester

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Names

[ CAS No. ]:
5875-28-5

[ Name ]:
Thiocyanic acid carbamoylmethyl ester

[Synonym ]:
Acetamide,2-thiocyanato
2-amino-2-oxoethyl thiocyanate
Carbamoylmethyl thiocyanate
cyanothioacetamide
Thiocyanic acid,carbamoylmethyl ester
2-Thiocyanatoacetamide
Rhodanessigsaeure-amid
thiocyanato-acetic acid amide
S-Cyan-thioglykolsaeure-amid
Thiocyanato-essigsaeure-amid
Thiocyanatoacetamide

Chemical & Physical Properties

[ Density]:
1.347g/cm3

[ Boiling Point ]:
357.3ºC at 760 mmHg

[ Molecular Formula ]:
C3H4N2OS

[ Molecular Weight ]:
116.14200

[ Flash Point ]:
169.9ºC

[ Exact Mass ]:
116.00400

[ PSA ]:
93.17000

[ LogP ]:
0.83568

[ Index of Refraction ]:
1.549

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK8560000
CHEMICAL NAME :
Thiocyanic acid, carbamoylmethyl ester
CAS REGISTRY NUMBER :
5875-28-5
BEILSTEIN REFERENCE NO. :
1748931
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H4-N2-O-S
MOLECULAR WEIGHT :
116.15
WISWESSER LINE NOTATION :
ZV1SCN

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 :
5620 ug/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#00484

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Chloroacetamide
  • Potassium thiocyanate

DownStream

  • 2,4-Thiazolidinedione
  • 4,6-dimethyl-2-sulfanylnicotinonitrile
  • Pseudothiohydantoin

Related Compounds

  • Carboxamido-N-acetylglycinat
  • Carboxamidomethyl-DL-N-acetylalaninat
  • (2-amino-7H-purin-6-yl) thiocyanate
  • Carboxaamidomethyl-DL-N-acetylleucinat
  • L-Ala-CAM
  • (2-amino-2-oxoethyl) methanesulfonate
  • N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrazine-2-carboxamide
  • N-(2-bromophenyl)-5,6,7,8-tetrahydrocinnoline-3-carboxamide
  • 1-(5-Fluoro-4-methylpyridine-2-carbonyl)-4-(pyridin-2-yl)piperazine
  • 1-(5-Fluoro-6-methylpyridine-2-carbonyl)-4-(pyridin-2-yl)piperazine
  • 5-Methyl-4-[4-(6-methylpyrazine-2-carbonyl)piperazin-1-yl]pyrimidine
  • N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoro-5-methylpyridine-2-carboxamide
  • 3-(Methylsulfanyl)-1-phenyl-1,2-dihydropyrazin-2-one
  • 1-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]azetidin-1-yl}-4,4,4-trifluorobutan-1-one
  • 3-fluoro-5-methyl-N-{4-[(methylcarbamoyl)methyl]-1,3-thiazol-2-yl}pyridine-2-carboxamide
  • 5-fluoro-4-methyl-N-{4-[(methylcarbamoyl)methyl]-1,3-thiazol-2-yl}pyridine-2-carboxamide
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