benzyl carbamimidothioate

Names

[ CAS No. ]:
621-85-2

[ Name ]:
benzyl carbamimidothioate

[Synonym ]:
Carbamimidothioic acid,phenylmethyl ester
benzylisothiourea
Pseudourea,2-benzyl-2-thio
S-benzyl-isothiocarbamide
S-Benzylthiourea
s-benzylisothiourea
2-benzylisothiourea
Benzylthiopseudourea
2-Benzyl-2-thiopseudourea

Chemical & Physical Properties

[ Density]:
1.18g/cm3

[ Boiling Point ]:
283.2ºC at 760 mmHg

[ Molecular Formula ]:
C8H10N2S

[ Molecular Weight ]:
166.24300

[ Flash Point ]:
125.1ºC

[ Exact Mass ]:
166.05600

[ PSA ]:
75.17000

[ LogP ]:
2.61330

[ Index of Refraction ]:
1.605

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UM0606000
CHEMICAL NAME :
Pseudourea, 2-benzyl-2-thio-
CAS REGISTRY NUMBER :
621-85-2
BEILSTEIN REFERENCE NO. :
0742882
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N2-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 36,349,1947

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzyl chloride
  • Benzyl bromide
  • 1,5-diphenyl-2-(S-benzyl)-2,4-isodithiobiuret

DownStream

  • Dibenzyl disulfide
  • 3-BENZYLSULFANYL-[1,2,4]THIADIAZOL-5-YLAMINE
  • 1-(BENZYLSULFANYL)-4-NITROBENZENE
  • benzylthiol
  • 2-(Benzylthio)-4,6-dimethylpyrimidine

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • benzyl carbamimidothioate,oxalic acid
  • benzyl carbamimidothioate,nonanoic acid
  • benzyl carbamimidothioate,phthalic acid
  • benzyl carbamimidothioate,propanoic acid
  • benzyl carbamimidothioate,heptanoic acid
  • benzyl carbamimidothioate,hexanedioic acid
  • 5-((3,5-Dimethylpiperidin-1-yl)(4-nitrophenyl)methyl)-2-ethylthiazolo[3,2-b][1,2,4]triazol-6-ol
  • 2-Ethyl-5-((4-ethylphenyl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
  • 2-Ethyl-5-((4-isopropylphenyl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
  • 2-Ethyl-5-(furan-2-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
  • 5-((3-Bromophenyl)(4-ethylpiperazin-1-yl)methyl)-2-ethylthiazolo[3,2-b][1,2,4]triazol-6-ol
  • 5-((4-Bromophenyl)(4-ethylpiperazin-1-yl)methyl)-2-ethylthiazolo[3,2-b][1,2,4]triazol-6-ol
  • 2-Ethyl-5-((4-ethylpiperazin-1-yl)(3-fluorophenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
  • 5-((3,4-Dichlorophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-ethylthiazolo[3,2-b][1,2,4]triazol-6-ol
  • Ethyl 4-((2-ethyl-6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)(3-(trifluoromethyl)phenyl)methyl)piperazine-1-carboxylate
  • 5-((4-Benzylpiperazin-1-yl)(4-nitrophenyl)methyl)-2-ethylthiazolo[3,2-b][1,2,4]triazol-6-ol
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