(4-Methylbenzene-1-sulfinyl)methanide
Basic information
- CAS
60586-50-7- Standard SMILES
[CH2-]S(=O)c1ccc(C)cc1- InChIKey
DSGPGSYBOLTZDW-UHFFFAOYSA-N- Molecular formula
- C8H9OS-
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.03741108
Names & identifiers
- Preferred name
- (4-Methylbenzene-1-sulfinyl)methanide
- IUPAC
- 1-methanidylsulfinyl-4-methylbenzene
Names & synonyms
DTXSID901248286(4-Methylbenzene-1-sulfinyl)methanideBenzene, 1-methyl-4-(methylsulfinyl)-, ion(1-)60586-50-7
Database identifiers
- CAS
60586-50-7- PubChem CID
- 102438005
- DTXSID
DTXSID901248286- Nikkaji
- J306.471I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- -1
- Complexity
- 125
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Compound notes
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