Methyl 3-methylbenzenecarbodithioate
Basic information
- CAS
5969-49-3- Standard SMILES
CSC(=S)c1cccc(C)c1- InChIKey
ILILSGSQDKCDAM-UHFFFAOYSA-N- Molecular formula
- C9H10S2
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.02239267
Names & identifiers
- Preferred name
- Methyl 3-methylbenzenecarbodithioate
- IUPAC
- methyl 3-methylbenzenecarbodithioate
Names & synonyms
Methyl 3-methylbenzenecarbodithioateMethyl dithio-3-methylbenzoate5969-49-3SCHEMBL18267481SCHEMBL31309821DTXSID30342884ILILSGSQDKCDAM-UHFFFAOYSA-NMethyl 3-methylbenzenecarbodithioate #Methyl 3-methylbenzene-1-carbodithioate
Database identifiers
- CAS
5969-49-3- PubChem CID
- 585459
- DTXSID
DTXSID30342884
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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