Methyl 4-methylbenzenecarbodithioate
Basic information
- CAS
5977-87-7- Standard SMILES
CSC(=S)c1ccc(C)cc1- InChIKey
KKVWORPUZUTZMT-UHFFFAOYSA-N- Molecular formula
- C9H10S2
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.02239267
Names & identifiers
- Preferred name
- Methyl 4-methylbenzenecarbodithioate
- IUPAC
- methyl 4-methylbenzenecarbodithioate
Names & synonyms
5977-87-7methyl 4-methylbenzodithioateMethyl 4-methylbenzenecarbodithioateMethyl dithio-4-methylbenzoatemethyl 4-methylbenzene-1-carbodithioateSCHEMBL16904643DTXSID70342883KKVWORPUZUTZMT-UHFFFAOYSA-NMFCD26912990Methyl 4-methylbenzenecarbodithioate #SY410619
Database identifiers
- CAS
5977-87-7- PubChem CID
- 585458
- DTXSID
DTXSID70342883- Nikkaji
- J1.449.783H
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 134
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Related reactions
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Compound notes
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