2-Methylthiomethyl-3,4,6-trifluoroaniline

HCID 18974461CAS 119916-19-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CSCc1c(N)c(F)cc(F)c1F
InChIKey
GYXOZPCDKBTISE-UHFFFAOYSA-N
Molecular formula
C8H8F3NS
Average molar mass
207.22 g/mol
Monoisotopic mass
207.03295492

Names & identifiers

Preferred name
2-Methylthiomethyl-3,4,6-trifluoroaniline
IUPAC
3,4,6-trifluoro-2-(methylsulfanylmethyl)aniline

Names & synonyms

SCHEMBL8110877GYXOZPCDKBTISE-UHFFFAOYSA-NDTXSID3012323602-methylthiomethyl-3,4,6-trifluoroaniline3,4,6-Trifluoro-2-[(methylsulfanyl)methyl]aniline3,4,6-Trifluoro-2-[(methylthio)methyl]benzenamine119916-19-7

Database identifiers

CAS
119916-19-7
PubChem CID
18974461
DTXSID
DTXSID301232360

Properties

Computed structural properties

XLogP
2
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Related reactions

10 records
New reaction record

Linked notes

Loading…