1,3-diazepane-2-thione

Names

[ CAS No. ]:
5700-04-9

[ Name ]:
1,3-diazepane-2-thione

[Synonym ]:
1,3-Diazacycloheptane-2-thione
perhydro-1H-1,3-diazepine-2-thione
1,3,4,5,6,7-Hexahydro-2H-1,3-diazepine-2-thione
tetrahydro-1,3-diazepine-2-thione
1,3-diazaperhydroepine-2-thione
Hexahydro-1,3-diazepin-2-thione
4,5,6,7-tetrahydro-1H-1,3-diazepine-2-thione
hexahydro-1,3-diazepine-2-thione
N,N'-Tetramethylenethiourea
hexahydro-2H-1,3-diazepine-2-thione
hexahydro-2h-1,3-diazapine-2-thione
1,3-DIAZEPIN-2-THIONE,HEXAHYDRO

Chemical & Physical Properties

[ Density]:
1.14g/cm3

[ Boiling Point ]:
194.4ºC at 760 mmHg

[ Melting Point ]:
178ºC

[ Molecular Formula ]:
C5H10N2S

[ Molecular Weight ]:
130.21100

[ Flash Point ]:
71.4ºC

[ Exact Mass ]:
130.05600

[ PSA ]:
56.15000

[ LogP ]:
0.90190

[ Index of Refraction ]:
1.576

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HM4093000
CHEMICAL NAME :
1,3-Diazepin-2-thione, hexahydro-
CAS REGISTRY NUMBER :
5700-04-9
LAST UPDATED :
199007
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H10-N2-S
MOLECULAR WEIGHT :
130.23
WISWESSER LINE NOTATION :
T7MYMTJ BUS

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 :
215 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,214,1968

Safety Information

[ HS Code ]:
2933990090

Precursor & DownStream

Precursor

DownStream

  • piperazine dihydrochloride
  • 2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine,hydroiodide
  • NNDIMETHYLTETRAMETHYLENETHIOUREA
  • 1,3-diethyl-1,3-diazepan-2-one
  • 1,3-diethyl-1,3-diazepane-2-thione
  • 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a][1,3]diazepine

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1,3-diethyl-1,3-diazepane-2-thione
  • 1,3-dimethyl-1,3-diazepane-2-thione
  • 4,4,7,7-tetramethyl-1,3-diazepane-2-thione
  • 1,3-diazepane-2,4-dione
  • 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazepane-2,5-dione
  • 1,3-Benzodithiole-2-thione,5-methyl-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoyl]-3,4-dimethylpyrrolidine-3-carboxylic acid
  • 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
  • N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]prop-2-enamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine