(4-Bromobenzyl)(4-chlorophenyl)sulfane
Basic information
- CAS
100397-85-1- Standard SMILES
Clc1ccc(SCc2ccc(Br)cc2)cc1- InChIKey
JWAJIOWSSUMBAZ-UHFFFAOYSA-N- Molecular formula
- C13H10BrClS
- Average molar mass
- 313.64 g/mol
- Monoisotopic mass
- 311.93751
Names & identifiers
- Preferred name
- (4-Bromobenzyl)(4-chlorophenyl)sulfane
- IUPAC
- 1-bromo-4-[(4-chlorophenyl)sulfanylmethyl]benzene
Names & synonyms
100397-85-1(4-Bromobenzyl)(4-chlorophenyl)sulfane1-bromo-4-[(4-chlorophenyl)sulfanylmethyl]benzeneBenzene, 1-bromo-4-[[(4-chlorophenyl)thio]methyl]-MFCD038636361-bromo-4-{[(4-chlorophenyl)sulfanyl]methyl}benzene4-bromobenzyl 4-chlorophenyl sulfideDTXSID50409069STL380444AKOS000400217CS-0362975AM-879/42001080
Show more names
F393991
Database identifiers
- CAS
100397-85-1- PubChem CID
- 5164553
- DTXSID
DTXSID50409069- Nikkaji
- J2.285.536K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
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Compound notes
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