3-Chloro-2-[(3-chloropropyl)sulfanyl]aniline

HCID 22735537
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Basic information

Standard SMILES
Nc1cccc(Cl)c1SCCCCl
InChIKey
MNDQNMUXJHRVLO-UHFFFAOYSA-N
Molecular formula
C9H11Cl2NS
Average molar mass
236.16 g/mol

Names & identifiers

Preferred name
3-Chloro-2-[(3-chloropropyl)sulfanyl]aniline
IUPAC
3-chloro-2-(3-chloropropylsulfanyl)aniline

Names & synonyms

SCHEMBL5636326MNDQNMUXJHRVLO-UHFFFAOYSA-N3-chloro-2-[(3-chloropropyl)sulfanyl]aniline

Database identifiers

PubChem CID
22735537

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Related reactions

5 records
New reaction record

Compound notes

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