(5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol

C10H13NS — CID 138600205

IUPAC(5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol
SMILESC/C=c1/ncc(S)c/c1=C/CC
InChIInChI=1S/C10H13NS/c1-3-5-8-6-9(12)7-11-10(8)4-2/h4-7,12H,3H2,1-2H3/b8-5-,10-4+
InChIKeyFZDBVWJPYOMYMD-VRCTZXRLSA-N
MW179.29 g/mol
LogP1.36
Rot. Bonds1

About (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol

(5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol (PubChem CID 138600205) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol.

Molecular Properties

Compound Name(5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol
PubChem CID138600205
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol
SMILESC/C=c1/ncc(S)c/c1=C/CC
InChIInChI=1S/C10H13NS/c1-3-5-8-6-9(12)7-11-10(8)4-2/h4-7,12H,3H2,1-2H3/b8-5-,10-4+
InChIKeyFZDBVWJPYOMYMD-VRCTZXRLSA-N
XLogP1.36
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol?
The IUPAC name of (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol (CID 138600205) is (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol.
What is the SMILES notation for (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol?
The canonical SMILES for (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol is C/C=c1/ncc(S)c/c1=C/CC.
What is the InChIKey of (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol?
The InChIKey is FZDBVWJPYOMYMD-VRCTZXRLSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-5-8-6-9(12)7-11-10(8)4-2/h4-7,12H,3H2,1-2H3/b8-5-,10-4+.
What are the key properties of (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol?
(5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol has a molecular weight of 179.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-ethylidene-5-propylidenepyridine-3-thiol is sourced from PubChem (CID 138600205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).