Basic information
- CAS
90607-33-3- Standard SMILES
CSCc1cccc(N)c1- InChIKey
XLTWZLHQZGDKBF-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
- Monoisotopic mass
- 153.06122053
Names & identifiers
- Preferred name
- 3-[(Methylsulfanyl)methyl]aniline
- IUPAC
- 3-(methylsulfanylmethyl)aniline
- English name
- 3-[(methylsulfanyl)methyl]aniline
- Molecular formula
- C8H11NS
- Molecular weight
- 153.24
Names & synonyms
3-[(methylsulfanyl)methyl]aniline90607-33-33-(methylsulfanylmethyl)anilineSCHEMBL16176633SCHEMBL30515543XLTWZLHQZGDKBF-UHFFFAOYSA-N3-[(methyl-sulfanyl)methyl]anilineQDA607333-((METHYLTHIO)METHYL)ANILINEAKOS010251628AT15211CS-0259618
Show more names
Benzenamine, 3-[(methylthio)methyl]-
EN300-73739Z732207152
Database identifiers
- CAS
90607-33-3- PubChem CID
- 39733359
- EC Number
- 191-416-2
- Nikkaji
- J1.105.460I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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