N-phenyl-1-[5-(N-phenylcarbamimidoyl)sulfanylpentylsulfanyl]methanimidamide

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Names

[ CAS No. ]:
856-51-9

[ Name ]:
N-phenyl-1-[5-(N-phenylcarbamimidoyl)sulfanylpentylsulfanyl]methanimidamide

[Synonym ]:
N,N''-Diphenyl-S,S'-pentandiyl-bis-isothioharnstoff,Dihydrobromid
N,N''-diphenyl-S,S'-pentanediyl-bis-isothiourea,dihydrobromide
N,N''-diphenyl-S,S'-hexanediyl-bis-isothiourea,dihydrobromide
N,N''-Diphenyl-S,S'-hexandiyl-bis-isothioharnstoff,Dihydrobromid

Chemical & Physical Properties

[ Density]:
1.18g/cm3

[ Boiling Point ]:
568.2ºC at 760 mmHg

[ Molecular Formula ]:
C19H25BrN4S2

[ Molecular Weight ]:
453.46300

[ Flash Point ]:
297.5ºC

[ Exact Mass ]:
452.07000

[ PSA ]:
122.36000

[ LogP ]:
7.02040

[ Index of Refraction ]:
1.623

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UM9775000
CHEMICAL NAME :
Pseudourea, 2,2'-pentamethylenebis(1-phenyl-2-thio-, dihydrobromide
CAS REGISTRY NUMBER :
856-51-9
LAST UPDATED :
198103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H24-N4-S2.2Br-H
MOLECULAR WEIGHT :
534.43
WISWESSER LINE NOTATION :
MUYMR&S5SYUM&MR &EH 2

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 :
56 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#01167

Synthetic Route

Precursor & DownStream

Precursor

  • 1,5-Dibromopentane
  • Phenylthiocarbamide

DownStream


Related Compounds

  • 3,4-Dipropyl 3,4-pyridinedicarboxylate
  • 1-ethyl-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
  • Ethyl 3-((2-nitro-4-sulfamoylphenyl)amino)propanoate
  • Methyl 2-[2-(azepan-1-YL)acetamido]-4-phenylthiophene-3-carboxylate; oxalic acid
  • 4-[(2-Mercaptoethyl)amino]-3-(mercaptomethyl)-4-oxobutanoic acid
  • N-(1-cyanocycloheptyl)-2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetamide
  • [(4-Butoxynaphthyl)sulfonyl](2-pyridylmethyl)amine
  • Trimethylammonium methyl sulfate
  • 2-(3-Chloropropyl)thiopyridine
  • 2-(4-Methyl-1,3-oxazol-2-yl)acetic acid
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