1,1'-(butane-1,4-diyldisulfanediyl)bis(4-chlorobenzene) 5409-96-1

Details:

【Name】
1,1'-(butane-1,4-diyldisulfanediyl)bis(4-chlorobenzene)
【CAS Registry number】
5409-96-1
【Synonyms】
1,1'
-(butane-1,4-diyldisulfanediyl)bis(4-chlorobenzene)
62029-62-3
NSC12552
AC1Q3RJB
AC1L5D4V
MolPort-002-874-050
KST-1B6308
AR-1B3541
NSC-12552
ZINC01724600
AKOS005097514
6G-418S
1-chloro-4-[4-(4-chlorophenyl)sulfanylbutylsulfanyl]benzene
1-chloro-4-({4-[(4-chlorophenyl)sulfanyl]butyl}sulfanyl)benzene
【Molecular Formula】
C16H16Cl2S2 (Products with the same molecular formula)
【Molecular Weight】
343.3342
【Inchi】
InChI=1/C16H16Cl2S2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12H2
【Canonical SMILES】
C1=CC(=CC=C1SCCCCSC2=CC=C(C=C2)Cl)Cl
【MOL File】
5409-96-1.mol
Chemical and Physical Properties
【Density】
1.29g/cm3
【Boiling Point】
460.6°C at 760 mmHg
【Refractive Index】
1.638
【Flash Point】
213°C
【Computed Properties】
Molecular Weight:343.33424 [g/mol]
Molecular Formula:C16H16Cl2S2
XLogP3-AA:6.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:7
Exact Mass:342.007047
MonoIsotopic Mass:342.007047
Topological Polar Surface Area:50.6
Heavy Atom Count:20
Formal Charge:0
Complexity:221
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 Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:176