N-((Methylthio)methyl)-o-anisidine hydrochloride
Basic information
- CAS
98499-60-6- Standard SMILES
COc1ccccc1[NH2+]CSC.[Cl-]- InChIKey
WDCILVUDUWNQNC-UHFFFAOYSA-N- Molecular formula
- C9H14ClNOS
- Average molar mass
- 219.73 g/mol
- Monoisotopic mass
- 219.0484629
Names & identifiers
- Preferred name
- N-((Methylthio)methyl)-o-anisidine hydrochloride
- IUPAC
- (2-methoxyphenyl)-(methylsulfanylmethyl)azanium chloride
Names & synonyms
N-((Methylthio)methyl)-o-anisidine98499-60-6EFI 87N-[(METHYLTHIO)METHYL]-O-ANISIDINECCRIS 7527N-((Methylthio)methyl)-o-anisidine hydrochlorideN-((Metiltio)metil)-o-anisidina cloridrato [Italian]o-ANISIDINE, N-((METHYLTHIO)METHYL)-, MONOHYDROCHLORIDEN-((Metiltio)metil)-o-anisidina cloridrato
Database identifiers
- CAS
98499-60-6- PubChem CID
- 57407
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
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Compound notes
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