Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide

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Names

[ CAS No. ]:
6290-92-2

[ Name ]:
Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide

[Synonym ]:
1,5-bis-butylsulfanyl-2,4-bis-butylsulfanylmethyl-pentan-3-one
1,5-Bis-carbamimidoylmercapto-pentan,Dihydrobromid
1,5-bis-carbamimidoylmercapto-pentane,dihydrobromide

Chemical & Physical Properties

[ Density]:
1.36g/cm3

[ Boiling Point ]:
367.6ºC at 760 mmHg

[ Molecular Formula ]:
C7H17BrN4S2

[ Molecular Weight ]:
301.27100

[ Flash Point ]:
176.1ºC

[ Exact Mass ]:
300.00800

[ PSA ]:
150.34000

[ LogP ]:
3.96820

[ Index of Refraction ]:
1.639

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UM9800000
CHEMICAL NAME :
Pseudourea, 2,2'-pentamethylenebis(2-thio-, dihydrobromide
CAS REGISTRY NUMBER :
6290-92-2
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H16-N4-S2.2Br-H
MOLECULAR WEIGHT :
382.23
WISWESSER LINE NOTATION :
MUYZS5SYZUM &EH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 8,929,1953

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,5-Dibromopentane

DownStream

  • 1,2-Bis(4-nitrophenyl)disulfane
  • di(p-Nitrophenyl) sulfide

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 4-(Difluoromethyl)-2,3-dimethylpyridine
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 3-Bromo-5-fluoro-4-methoxybenzonitrile
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 1,1-Dimethylethyl 1-cyclopropyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate