(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile

C7H6FNS — CID 123508505

IUPAC(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
SMILESC=C(C#N)/C=C(/F)C(C)=S
InChIInChI=1S/C7H6FNS/c1-5(4-9)3-7(8)6(2)10/h3H,1H2,2H3/b7-3+
InChIKeyGOBIFAFSDOXOLC-XVNBXDOJSA-N
MW155.20 g/mol
LogP2.31
Rot. Bonds2

About (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile

(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile (PubChem CID 123508505) has the molecular formula C7H6FNS and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile.

Molecular Properties

Compound Name(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
PubChem CID123508505
Molecular FormulaC7H6FNS
Molecular Weight155.20 g/mol
Exact Mass155.02
IUPAC Name(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
SMILESC=C(C#N)/C=C(/F)C(C)=S
InChIInChI=1S/C7H6FNS/c1-5(4-9)3-7(8)6(2)10/h3H,1H2,2H3/b7-3+
InChIKeyGOBIFAFSDOXOLC-XVNBXDOJSA-N
XLogP2.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944
(3E)-4-acetyl-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 142115713
5-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 123637801
formaldehyde;(3E)-4-methoxy-5-methyl-2-methylidenehexa-3,5-dienenitrile
CID 145007766
(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile
CID 146260017
N-prop-1-en-2-ylprop-2-enimidoyl cyanide
CID 143976470
(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
CID 144813060
formonitrile;2-methylprop-2-enenitrile
CID 174326031
cesium;(3Z)-4-[(tert-butylsulfanylamino)methyl]-5-fluoro-2-methylidenehexa-3,5-dienenitrile;carbanide;difluoromethane
CID 170619211
2-ethenyl-4-methylpenta-2,4-dienenitrile
CID 123944173
(2E)-2-ethenyl-4-fluoropenta-2,4-dienenitrile
CID 143547944
(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile?
The IUPAC name of (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile (CID 123508505) is (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile.
What is the SMILES notation for (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile?
The canonical SMILES for (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile is C=C(C#N)/C=C(/F)C(C)=S.
What is the InChIKey of (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile?
The InChIKey is GOBIFAFSDOXOLC-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H6FNS/c1-5(4-9)3-7(8)6(2)10/h3H,1H2,2H3/b7-3+.
What are the key properties of (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile?
(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile has a molecular weight of 155.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile is sourced from PubChem (CID 123508505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).