1,3-Trisulfanedicarbothioamide, N,N-dicyclohexyl- 5439-70-3

Details:

【Name】
N,N'-dicyclohexyltrisulfane-1,3-dicarbothioamide
【Iupac name】
(cyclohexylcarbamothioyldisulfanyl) N-cyclohexylcarbamodithioate
【CAS Registry number】
5439-70-3
【Synonyms】
NSC15273
5439-70-3
1,3-Trisulfanedicarbothioamide, N,N'
-dicyclohexyl-
AC1MHE8G
NSC 15273
NSC-15273
(cyclohexylcarbamothioyldisulfanyl) N-cyclohexylcarbamodithioate
【Molecular Formula】
C14H24N2S5 (Products with the same molecular formula)
【Molecular Weight】
380.6788
【Inchi】
InChI=1/C14H24N2S5/c17-13(15-11-7-3-1-4-8-11)19-21-20-14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
【Canonical SMILES】
C1CCC(CC1)NC(=S)SSSC(=S)NC2CCCCC2
【MOL File】
5439-70-3.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Boiling Point】
504.4°C at 760 mmHg
【Refractive Index】
1.667
【Flash Point】
258.9°C
【Computed Properties】
Molecular Weight:380.67876 [g/mol]
Molecular Formula:C14H24N2S5
XLogP3-AA:5.4
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:6
Tautomer Count:3
Exact Mass:380.054302
MonoIsotopic Mass:380.054302
Topological Polar Surface Area:164
Heavy Atom Count:21
Formal Charge:0
Complexity:306
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:10.4
Conformer Sampling RMSD:1.2
CID Conformer Count:64