Bis (2,4,5-Trichlorophenyl) Disulfide

CAT: 0127-OR1023667Size: 1 gDry Ice: NoHazardous: No

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CAS Number

3808-87-5

Synonyms

1,2,4-trichloro-5-[ (2,4,5-trichlorophenyl) disulfanyl]benzene

Purity

95%

Smiles

C1=C(C(=CC(=C1Cl)Cl)Cl)SSC2=CC(=C(C=C2Cl)Cl)Cl

Chemical Information

2,4,5-Trichlorophenyl disulfide

CAS Number	3808-87-5
PubChem CID	77421
IUPAC Name	1,2,4-trichloro-5-[(2,4,5-trichlorophenyl)disulfanyl]benzene
Molecular Formula	C12H4Cl6S2
Molecular Weight	425.0
XLogP	7.8
Topological Polar Surface Area	50.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	290

SMILES

C1=C(C(=CC(=C1Cl)Cl)Cl)SSC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H4Cl6S2/c13-5-1-9(17)11(3-7(5)15)19-20-12-4-8(16)6(14)2-10(12)18/h1-4H

InChIKey

ZUVJVEOHQKNMPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3808-87-5

CID: 77421

Formula: C12H4Cl6S2

MW: 425.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.0
XLogP3	7.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	423.785609
Monoisotopic Mass	421.788559
Topological Polar Surface Area	50.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	290
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
Compound Is Canonicalized	Yes

Catalog	Name
OR313051-01	Bis (2,4,6-trichlorophenyl) malonate
OR903936-01	Bis (2,4,6-trichlorophenyl) oxalate
OR1021143-01	2,4,5-Trichlorophenyl isothiocyanate
OR26876	5- (2,4,5-trichlorophenyl) -2-furaldehyde
OR1088231-01	5- (2,4,6-trichlorophenyl) oxazole
OR1077994	2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate
OR1012440-01	Bis (4-Hydroxyphenyl) Disulfide
OR1035768-01	Bis (2,4,6-Triisopropylphenyl) disulfide
OR1020789	1- (2,4,5-Trichlorophenyl) -2-thiourea
OR1083543	1- (2,4,5-Trichlorophenyl) ethanol

Catalog	Name
DAA80887	Bis (2,4,5-trichlorophenyl) Disulfide
sc-326307	Bis (2,5-Dimethylphenyl) disulfide
TRC-D488660-10MG	Bis(2,4-dimethylphenyl) Disulfide
415150-01	2-Amino-4-trifluoromethylphenyl Disulfide
MBS6105700-01	1-Oxyl-2,2,5,5-tetramethyl-?3-pyrrolinyl-4-pyridine Disulfide
019047	1-Oxyl-2,2,5,5-tetramethyl-∆3-pyrrolinyl-4-pyridine Disulfide
sc-478438	1-Oxyl-2,2,5,5-tetramethyl-Δ3-pyrrolinyl-4-pyridine Disulfide
D5110-01	4,4'-DIPYRIDYL DISULFIDE
CS-DU-00224	4-Tolyl Disulfide
TRC-B698228-1G	4-Bromophenyl disulfide