Basic information
- Standard SMILES
ClCCSC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
LDPIALKDNXAMPN-UHFFFAOYSA-N- Molecular formula
- C21H19ClS
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.0895995
Names & identifiers
- Preferred name
- (2-Chloroethyl)(trityl)sulfane
- IUPAC
- [2-chloroethylsulfanyl(diphenyl)methyl]benzene
Names & synonyms
NSC129852(2-chloroethyl)(trityl)sulfaneCHEMBL261170SCHEMBL15794531BDBM23795LDPIALKDNXAMPN-UHFFFAOYSA-NNSC-129852Triphenylmethyl-containing compound, 24{[(2-chloroethyl)sulfanyl]diphenylmethyl}benzene
Database identifiers
- PubChem CID
- 279368
- ChEMBL
CHEMBL261170
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 279
Related reactions
1 records
Compound notes
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