4-[(E)-2-pyridin-4-ylethenyl]benzenethiol

C13H11NS — CID 142469132

IUPAC4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
SMILESSc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C13H11NS/c15-13-5-3-11(4-6-13)1-2-12-7-9-14-10-8-12/h1-10,15H/b2-1+
InChIKeyMBGJBBWDATXTRL-OWOJBTEDSA-N
MW213.31 g/mol
LogP3.54
Rot. Bonds2

About 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol

4-[(E)-2-pyridin-4-ylethenyl]benzenethiol (PubChem CID 142469132) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol.

Molecular Properties

Compound Name4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
PubChem CID142469132
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
SMILESSc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C13H11NS/c15-13-5-3-11(4-6-13)1-2-12-7-9-14-10-8-12/h1-10,15H/b2-1+
InChIKeyMBGJBBWDATXTRL-OWOJBTEDSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
CID 101213643
tris[4-[(E)-2-pyridin-4-ylethenyl]phenyl]phosphane
CID 58942141
4-[(1E,3E)-4-(4-sulfanylphenyl)buta-1,3-dienyl]benzenethiol
CID 89070486
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
pyridine;4-(2-pyridin-4-ylethenyl)benzaldehyde
CID 87992660
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256
4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]pyridine
CID 102493364
N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 101360915
4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
CID 173142705
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol?
The IUPAC name of 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol (CID 142469132) is 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol.
What is the SMILES notation for 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol?
The canonical SMILES for 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol is Sc1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol?
The InChIKey is MBGJBBWDATXTRL-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H11NS/c15-13-5-3-11(4-6-13)1-2-12-7-9-14-10-8-12/h1-10,15H/b2-1+.
What are the key properties of 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol?
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol has a molecular weight of 213.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-pyridin-4-ylethenyl]benzenethiol is sourced from PubChem (CID 142469132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).