(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol

C11H15NS — CID 143865830

IUPAC(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol
SMILESC=C/C=c1/cccn/c1=C/C.CS
InChIInChI=1S/C10H11N.CH4S/c1-3-6-9-7-5-8-11-10(9)4-2;1-2/h3-8H,1H2,2H3;2H,1H3/b9-6-,10-4+;
InChIKeyKBLBDEHVASCKHD-OYQBFJTMSA-N
MW193.31 g/mol
LogP1.39
Rot. Bonds1

About (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol

(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol (PubChem CID 143865830) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol
PubChem CID143865830
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol
SMILESC=C/C=c1/cccn/c1=C/C.CS
InChIInChI=1S/C10H11N.CH4S/c1-3-6-9-7-5-8-11-10(9)4-2;1-2/h3-8H,1H2,2H3;2H,1H3/b9-6-,10-4+;
InChIKeyKBLBDEHVASCKHD-OYQBFJTMSA-N
XLogP1.39
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol?
The IUPAC name of (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol (CID 143865830) is (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol.
What is the SMILES notation for (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol?
The canonical SMILES for (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol is C=C/C=c1/cccn/c1=C/C.CS.
What is the InChIKey of (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol?
The InChIKey is KBLBDEHVASCKHD-OYQBFJTMSA-N. The full InChI is InChI=1S/C10H11N.CH4S/c1-3-6-9-7-5-8-11-10(9)4-2;1-2/h3-8H,1H2,2H3;2H,1H3/b9-6-,10-4+;.
What are the key properties of (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol?
(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol has a molecular weight of 193.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine;methanethiol is sourced from PubChem (CID 143865830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).