Basic information
- CAS
23566-23-6- Standard SMILES
Clc1ccc(CSCc2ccc(Cl)cc2)cc1- InChIKey
ITVKOVQVBCQQGY-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2S
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 282.0036769
Names & identifiers
- Preferred name
- Bis(p-chlorobenzyl) sulphide
- IUPAC
- 1-chloro-4-[(4-chlorophenyl)methylsulfanylmethyl]benzene
- English name
- bis(p-chlorobenzyl) sulphide
- Molecular formula
- C14H12Cl2S
- Molecular weight
- 283.22
Names & synonyms
Bis(p-chlorobenzyl) sulphide23566-23-6NSC-409397Benzene, 1,1'-[thiobis(methylene)]bis[4-chloro-1-chloro-4-[(4-chlorophenyl)methylsulfanylmethyl]benzeneEINECS 245-743-3NSC409397X9ALX5G95Xdi-(4-chlorobenzyl) sulfideBis(4-chlorobenzyl)monosulfideBis(4-chlorobenzyl) sulfide #SCHEMBL3674399
Show more names
Bis(p-chlorobenzyl) sulfideBis(4-chlorobenzyl) sulfide
Sulfane, bis(4-chlorobenzyl)-DTXSID00178192NSC 409397NS000274531,1'-[thiodi(methylene)]bis(4-chlorobenzene)1,1'-[Thiobis(methylene)]bis[4-chlorobenzene]1,1'-[Sulfanediylbis(methylene)]bis(4-chlorobenzene)
Database identifiers
- CAS
23566-23-6- PubChem CID
- 90172
- DTXSID
DTXSID00178192- UNII
- X9ALX5G95X
- EC Number
- 245-743-3
- Nikkaji
- J31.934A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 41.5 · 41.5-42.0 °C
- Boiling point
- 379.3 · 379.3±27.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- FDA UNII
- 9 ALX5G95X · X9ALX5G95X
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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