[(E)-2-pyridin-3-ylethenyl] thiohypochlorite

C7H6ClNS — CID 142599009

IUPAC[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
SMILESClS/C=C/c1cccnc1
InChIInChI=1S/C7H6ClNS/c8-10-5-3-7-2-1-4-9-6-7/h1-6H/b5-3+
InChIKeyUWFSTEGIRZVUBJ-HWKANZROSA-N
MW171.65 g/mol
LogP2.94
Rot. Bonds2

About [(E)-2-pyridin-3-ylethenyl] thiohypochlorite

[(E)-2-pyridin-3-ylethenyl] thiohypochlorite (PubChem CID 142599009) has the molecular formula C7H6ClNS and a molecular weight of 171.65 g/mol. Its IUPAC name is [(E)-2-pyridin-3-ylethenyl] thiohypochlorite.

Molecular Properties

Compound Name[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
PubChem CID142599009
Molecular FormulaC7H6ClNS
Molecular Weight171.65 g/mol
Exact Mass170.99
IUPAC Name[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
SMILESClS/C=C/c1cccnc1
InChIInChI=1S/C7H6ClNS/c8-10-5-3-7-2-1-4-9-6-7/h1-6H/b5-3+
InChIKeyUWFSTEGIRZVUBJ-HWKANZROSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
3-[(1E,3E)-penta-1,3-dienyl]pyridine
CID 173222237
(Z)-3-pyridin-3-ylprop-2-enenitrile
CID 10441725
CID 131858610
CID 131858610
trimethyl-[[4-[(Z)-2-pyridin-3-ylethenyl]phenyl]methyl]silane
CID 101414721
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503

Frequently Asked Questions

What is the IUPAC name of [(E)-2-pyridin-3-ylethenyl] thiohypochlorite?
The IUPAC name of [(E)-2-pyridin-3-ylethenyl] thiohypochlorite (CID 142599009) is [(E)-2-pyridin-3-ylethenyl] thiohypochlorite.
What is the SMILES notation for [(E)-2-pyridin-3-ylethenyl] thiohypochlorite?
The canonical SMILES for [(E)-2-pyridin-3-ylethenyl] thiohypochlorite is ClS/C=C/c1cccnc1.
What is the InChIKey of [(E)-2-pyridin-3-ylethenyl] thiohypochlorite?
The InChIKey is UWFSTEGIRZVUBJ-HWKANZROSA-N. The full InChI is InChI=1S/C7H6ClNS/c8-10-5-3-7-2-1-4-9-6-7/h1-6H/b5-3+.
What are the key properties of [(E)-2-pyridin-3-ylethenyl] thiohypochlorite?
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite has a molecular weight of 171.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-pyridin-3-ylethenyl] thiohypochlorite is sourced from PubChem (CID 142599009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).