2-[(Methylsulfanyl)methyl]-4-nitroaniline
Basic information
- CAS
34774-93-1- Standard SMILES
CSCc1cc([N+](=O)[O-])ccc1N- InChIKey
HCRSXTSGSLECNB-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2S
- Average molar mass
- 198.24 g/mol
- Monoisotopic mass
- 198.04629874
Names & identifiers
- Preferred name
- 2-[(Methylsulfanyl)methyl]-4-nitroaniline
- IUPAC
- 2-(methylsulfanylmethyl)-4-nitroaniline
Names & synonyms
34774-93-1NSC2983922-[(Methylsulfanyl)methyl]-4-nitroanilineSCHEMBL11619189DTXSID30316005HCRSXTSGSLECNB-UHFFFAOYSA-N4-nitro-2-methylmercaptomethylaniline4 -nitro-2-methylmercaptomethylanilineAKOS011469476NSC-2983922-(Methylsulfanylmethyl)-4-nitro-anilineDS-003432
Database identifiers
- CAS
34774-93-1- PubChem CID
- 326707
- DTXSID
DTXSID30316005
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Related reactions
3 records
Compound notes
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