N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline

CAS: 6631-87-4

Molecular Formula	`C13H11ClN2O2S`
Molecular Weight	294.76 g/mol
LogP	4.7
Topological Polar Surface Area	83.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	294.02298
Heavy Atoms	19
Complexity	285.0

Chemical Identifiers

CAS Number	6631-87-4
SMILES	`C1=CC(=CC=C1NCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]`
InChIKey	`OWRLOGVOPJWMPD-UHFFFAOYSA-N`

📖 Product Overview

N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline (CAS: 6631-87-4) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.76 g/mol. Its IUPAC systematic name is N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline. LogP 4.7 Topological Polar Surface Area 83.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 294.02298 Heavy Atoms 19 Complexity 285.0 InChI Key: OWRLOGVOPJWMPD-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1NCSC2=CC=C(C=C2)Cl)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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