[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate

C15H10N2O2S — CID 14814558

IUPAC[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate
SMILESN#CS/C(=C(/c1ccccc1)[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H10N2O2S/c16-11-20-15(13-9-5-2-6-10-13)14(17(18)19)12-7-3-1-4-8-12/h1-10H/b15-14-
InChIKeyQVTKYHASYOXHQZ-PFONDFGASA-N
MW282.32 g/mol
LogP4.00
Rot. Bonds4

About [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate

[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate (PubChem CID 14814558) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate.

Molecular Properties

Compound Name[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate
PubChem CID14814558
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate
SMILESN#CS/C(=C(/c1ccccc1)[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H10N2O2S/c16-11-20-15(13-9-5-2-6-10-13)14(17(18)19)12-7-3-1-4-8-12/h1-10H/b15-14-
InChIKeyQVTKYHASYOXHQZ-PFONDFGASA-N
XLogP4.00
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1,2-dinitroprop-1-enyl]benzene
CID 142001614
2-[nitro(phenyl)methylidene]propanedioic acid
CID 154443688
4-[(E)-2-nitro-1,2-diphenylethenyl]morpholine
CID 14814554
4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
CID 12972641
3-(1,2-dinitro-2-phenylethenyl)-2-nitrophenol
CID 175293725
1-nitro-2-phenylethene-1,2-diol
CID 139815015
(2-chloro-1-phenylethenyl) thiocyanate
CID 174929709
1-(1-nitro-2,2-diphenylethenyl)-4-(trifluoromethyl)benzene
CID 162534891
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
[(E)-1,2-diiodo-2-nitroethenyl]benzene
CID 10716017
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate?
The IUPAC name of [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate (CID 14814558) is [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate.
What is the SMILES notation for [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate?
The canonical SMILES for [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate is N#CS/C(=C(/c1ccccc1)[N+](=O)[O-])c1ccccc1.
What is the InChIKey of [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate?
The InChIKey is QVTKYHASYOXHQZ-PFONDFGASA-N. The full InChI is InChI=1S/C15H10N2O2S/c16-11-20-15(13-9-5-2-6-10-13)14(17(18)19)12-7-3-1-4-8-12/h1-10H/b15-14-.
What are the key properties of [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate?
[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate has a molecular weight of 282.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate is sourced from PubChem (CID 14814558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).