(4-Methylphenyl)sulfanyl morpholine-4-carbodithioate
Basic information
- CAS
62911-22-2- Standard SMILES
Cc1ccc(SSC(=S)N2CCOCC2)cc1- InChIKey
OYQVHINZKVLOAW-UHFFFAOYSA-N- Molecular formula
- C12H15NOS3
- Average molar mass
- 285.5 g/mol
- Monoisotopic mass
- 285.03157762
Names & identifiers
- Preferred name
- (4-Methylphenyl)sulfanyl morpholine-4-carbodithioate
- IUPAC
- (4-methylphenyl)sulfanyl morpholine-4-carbodithioate
Names & synonyms
62911-22-2(4-methylphenyl)sulfanyl morpholine-4-carbodithioateNSC297322CHEMBL3248488DTXSID20315784NSC-2973224-Methylphenyl morpholine-4-carbo(dithioperoxo)thioate
Database identifiers
- CAS
62911-22-2- PubChem CID
- 326290
- DTXSID
DTXSID20315784- ChEMBL
CHEMBL3248488
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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