(Z)-3-(thian-2-yl)prop-2-en-1-ol

C8H14OS — CID 117266012

IUPAC(Z)-3-(thian-2-yl)prop-2-en-1-ol
SMILESOC/C=C\C1CCCCS1
InChIInChI=1S/C8H14OS/c9-6-3-5-8-4-1-2-7-10-8/h3,5,8-9H,1-2,4,6-7H2/b5-3-
InChIKeyWBSVAHYKNJAIER-HYXAFXHYSA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds2

About (Z)-3-(thian-2-yl)prop-2-en-1-ol

(Z)-3-(thian-2-yl)prop-2-en-1-ol (PubChem CID 117266012) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (Z)-3-(thian-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(thian-2-yl)prop-2-en-1-ol
PubChem CID117266012
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(Z)-3-(thian-2-yl)prop-2-en-1-ol
SMILESOC/C=C\C1CCCCS1
InChIInChI=1S/C8H14OS/c9-6-3-5-8-4-1-2-7-10-8/h3,5,8-9H,1-2,4,6-7H2/b5-3-
InChIKeyWBSVAHYKNJAIER-HYXAFXHYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dihydro-2H-thiopyran-3-ol
CID 117273071
4-(1,3-Dithian-2-yl)but-2-en-1-ol
CID 75032944
(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
CID 102129766
2-(Thian-4-ylidene)ethanol
CID 68829369
2-methyl-3,6-dihydro-2H-thiopyran-6-ol
CID 89410051
(3-ethyl-4H-thiopyran-2-yl)methanol
CID 123493537
Cyclohex-3-en-1-yl-ethyl-(2-hydroxyethyl)sulfanium
CID 164136158
(2E,4E)-5-[2-[(Z)-oct-2-enyl]-1,3-dithian-2-yl]penta-2,4-dien-1-ol
CID 10380831
(E)-5-[2-[(Z)-oct-2-enyl]-1,3-dithian-2-yl]pent-2-en-1-ol
CID 10805245
(E,2R)-7-(1,3-dithian-2-yl)hept-3-en-2-ol
CID 11031762
(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol
CID 11309991
2-(Cyclohexen-1-ylsulfanyl)ethanol
CID 11457831

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(thian-2-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(thian-2-yl)prop-2-en-1-ol (CID 117266012) is (Z)-3-(thian-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(thian-2-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(thian-2-yl)prop-2-en-1-ol is OC/C=C\C1CCCCS1.
What is the InChIKey of (Z)-3-(thian-2-yl)prop-2-en-1-ol?
The InChIKey is WBSVAHYKNJAIER-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H14OS/c9-6-3-5-8-4-1-2-7-10-8/h3,5,8-9H,1-2,4,6-7H2/b5-3-.
What are the key properties of (Z)-3-(thian-2-yl)prop-2-en-1-ol?
(Z)-3-(thian-2-yl)prop-2-en-1-ol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(thian-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 117266012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).