4-Chloro-2-fluoro-5-(2-chloro-2-propenylthio)aniline

HCID 19806972
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(Cl)CSc1cc(N)c(F)cc1Cl
InChIKey
BGHMQPNUAXFIQV-UHFFFAOYSA-N
Molecular formula
C9H8Cl2FNS
Average molar mass
252.13 g/mol
Monoisotopic mass
250.973854

Names & identifiers

Preferred name
4-Chloro-2-fluoro-5-(2-chloro-2-propenylthio)aniline
IUPAC
4-chloro-5-(2-chloroprop-2-enylsulfanyl)-2-fluoroaniline

Names & synonyms

SCHEMBL9051244BGHMQPNUAXFIQV-UHFFFAOYSA-N4-chloro-2-fluoro-5-(2-chloro-2-propenylthio)aniline

Database identifiers

PubChem CID
19806972

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

Loading…