2,3-Dimethyl-6-nitrophenyl isothiocyanate

HCID 18316482
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Basic information

Standard SMILES
Cc1ccc([N+](=O)[O-])c(N=C=S)c1C
InChIKey
ZAJIJJZXODEFRG-UHFFFAOYSA-N
Molecular formula
C9H8N2O2S
Average molar mass
208.24 g/mol

Names & identifiers

Preferred name
2,3-Dimethyl-6-nitrophenyl isothiocyanate
IUPAC
3-isothiocyanato-1,2-dimethyl-4-nitrobenzene

Names & synonyms

SCHEMBL7118060ZAJIJJZXODEFRG-UHFFFAOYSA-N2,3-dimethyl-6-nitrophenyl isothiocyanate

Database identifiers

PubChem CID
18316482

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
90.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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