2H-Azepine-2-thione,hexahydro-

Suppliers

Names

[ CAS No. ]:
7203-96-5

[ Name ]:
2H-Azepine-2-thione,hexahydro-

[Synonym ]:
2-thioxohexamethyleneimine
EINECS 230-572-9
MFCD00006937
1,3,4,5,6,7-hexahydro-1-azepin-2-thione
cis-Hexahydro-2-azepinethione
hexahydro-2H-azepine-2-thione
Thiocaprolactam
1-azacycloheptane-2-thione

Chemical & Physical Properties

[ Density]:
1.05g/cm3

[ Boiling Point ]:
171ºC / 10mmHg

[ Melting Point ]:
107ºC

[ Molecular Formula ]:
C6H11NS

[ Molecular Weight ]:
129.22300

[ Exact Mass ]:
129.06100

[ PSA ]:
44.12000

[ LogP ]:
1.80620

[ Index of Refraction ]:
1.544

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM3370000
CHEMICAL NAME :
2-Azepinethione, hexahydro-, (Z)-
CAS REGISTRY NUMBER :
7203-96-5
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H11-N-S
MOLECULAR WEIGHT :
129.24
WISWESSER LINE NOTATION :
T7NYTJ BUS -Z

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 :
65 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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: 14,846,1971

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ RIDADR ]:
UN 3335

[ RTECS ]:
CM3370000

Synthetic Route

Precursor & DownStream

Precursor

  • Cyclohexanone
  • Caprolactam
  • Cyclohexanone oxime
  • 6-AMINOHEXANENITRILE
  • Thioacetic acid
  • Pyridine
  • chlorophenylsulfone

DownStream

  • AZEPAN-2-ONE OXIME
  • Caprolactam
  • 1-Acetyl-2-azepanone
  • Pentetrazol
  • Azepane
  • 1-trimethylsilylazepane-2-thione

Related Compounds

  • 2H-Azepine-2-thione,hexahydro-1-octyl
  • 2H-Azepine-2-thione,hexahydro-1-(3-methylbutyl)
  • 2H-Azepine-2-thione,hexahydro-1-(phenylmethyl)-
  • 2H-Azepine-2-thione,hexahydro-1-(2-phenylethyl)-
  • 2H-Azepine-2-thione,hexahydro-1-(trimethylsilyl)
  • 2H-Azepine-2-thione,hexahydro-1-(2-methylpropyl)