(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol

C8H9NOS — CID 88974349

IUPAC(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol
SMILESC/C=C(\O)Sc1ccccn1
InChIInChI=1S/C8H9NOS/c1-2-8(10)11-7-5-3-4-6-9-7/h2-6,10H,1H3/b8-2+
InChIKeyCHTNENYPONSBAS-KRXBUXKQSA-N
MW167.23 g/mol
LogP2.59
Rot. Bonds2

About (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol

(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol (PubChem CID 88974349) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol
PubChem CID88974349
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol
SMILESC/C=C(\O)Sc1ccccn1
InChIInChI=1S/C8H9NOS/c1-2-8(10)11-7-5-3-4-6-9-7/h2-6,10H,1H3/b8-2+
InChIKeyCHTNENYPONSBAS-KRXBUXKQSA-N
XLogP2.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride
CID 15311715
S-pyridin-2-yl pyridine-2-carbothioate
CID 121216656
2-hydroxysulfanylpyridine
CID 12046445
S-pyridin-2-yl 4-tert-butylbenzenecarbothioate
CID 901065
bis(dihydroxy(oxo)phosphanium);2-methylsulfanylpyridine
CID 19865315
S-pyridin-2-yl octanethioate
CID 13265438
S-pyridin-2-yl 4-methoxybenzenecarbothioate
CID 5097621
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
S-pyridin-2-yl 2-chloropyridine-3-carbothioate
CID 71422259
S-pyridin-2-yl pent-4-ynethioate
CID 58762612
2-ethyl-2-pyridin-2-ylsulfanylbutanoic acid
CID 114987627
S-pyridin-2-yl cyclohexanecarbothioate
CID 12531414

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol?
The IUPAC name of (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol (CID 88974349) is (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol.
What is the SMILES notation for (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol?
The canonical SMILES for (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol is C/C=C(\O)Sc1ccccn1.
What is the InChIKey of (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol?
The InChIKey is CHTNENYPONSBAS-KRXBUXKQSA-N. The full InChI is InChI=1S/C8H9NOS/c1-2-8(10)11-7-5-3-4-6-9-7/h2-6,10H,1H3/b8-2+.
What are the key properties of (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol?
(E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol has a molecular weight of 167.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-2-ylsulfanylprop-1-en-1-ol is sourced from PubChem (CID 88974349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).