Basic information
- CAS
20876-79-3- Standard SMILES
Cc1cc(C)c(C(=S)Sc2ccccc2)c(C)c1- InChIKey
UUNFXZWJURPWOT-UHFFFAOYSA-N- Molecular formula
- C16H16S2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.06934286
Names & identifiers
- Preferred name
- Phenyl 2,4,6-trimethylbenzenecarbodithioate
- IUPAC
- phenyl 2,4,6-trimethylbenzenecarbodithioate
Names & synonyms
phenyl 2,4,6-trimethylbenzenecarbodithioate20876-79-3DTXSID00355704RefChem:369617DTXCID70306763Benzenecarbodithioic acid, 2,4,6-trimethyl-, phenyl esterPhenyl 2,4,6-trimethylbenzene-1-carbodithioateAB-131/40897068
Database identifiers
- CAS
20876-79-3- PubChem CID
- 816780
- DTXSID
DTXSID00355704
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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