3-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Names

[ CAS No. ]:
21494-66-6

[ Name ]:
3-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one

[Synonym ]:
Hexamethylenebisrhodanine
Rhodanine,3,3'-hexamethylenedi
Hexamethylenbisrhodanin
3,3'-Hexamethylenedirhodanine
N,N'-Hexamethylenebisrhodanine
2,2'-dithioxo-3,3'-hexane-1,6-diyl-bis-thiazolidin-4-one

Chemical & Physical Properties

[ Density]:
1.48g/cm3

[ Boiling Point ]:
488.7ºC at 760 mmHg

[ Molecular Formula ]:
C12H16N2O2S4

[ Molecular Weight ]:
348.52800

[ Flash Point ]:
249.3ºC

[ Exact Mass ]:
348.00900

[ PSA ]:
155.40000

[ LogP ]:
2.14320

[ Vapour Pressure ]:
1.07E-09mmHg at 25°C

[ Index of Refraction ]:
1.71

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VI8105000
CHEMICAL NAME :
Rhodanine, 3,3'-hexamethylenedi-
CAS REGISTRY NUMBER :
21494-66-6
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H16-N2-O2-S4
MOLECULAR WEIGHT :
348.54

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,558,1969
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,121,1971

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,6-Hexanediamine
  • N,N'-(hexamethylene)bisdithiocarbamic acid
  • Chloroacetic acid
  • Carbon disulphide

DownStream

  • 1-amino-3-[6-(aminocarbamothioylamino)hexyl]thiourea
  • 3-[6-(2,4-dioxo-1,3-thiazolidin-3-yl)hexyl]-1,3-thiazolidine-2,4-dione

Related Compounds

  • 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
  • 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
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-methyl-1H-indole-4-carboxamide