4-Methyl-2-nitro-1-phenylsulfanyl-benzene

HCID 59645202
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Basic information

Standard SMILES
Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1
InChIKey
ICCSLSCIARPTNV-UHFFFAOYSA-N
Molecular formula
C13H11NO2S
Average molar mass
245.3 g/mol

Names & identifiers

Preferred name
4-Methyl-2-nitro-1-phenylsulfanyl-benzene
IUPAC
4-methyl-2-nitro-1-phenylsulfanylbenzene

Names & synonyms

SCHEMBL810289ICCSLSCIARPTNV-UHFFFAOYSA-N4-Methyl-2-nitro-1-phenylsulfanyl-benzene

Database identifiers

PubChem CID
59645202
Nikkaji
J3.587.873D

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

10 records
New reaction record

Compound notes

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