(Z)-4-(thiolan-2-yl)but-3-en-1-ol

C8H14OS — CID 117267574

IUPAC(Z)-4-(thiolan-2-yl)but-3-en-1-ol
SMILESOCC/C=C\C1CCCS1
InChIInChI=1S/C8H14OS/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8-9H,2-3,5-7H2/b4-1-
InChIKeyPNWNSMGQVQLYSE-RJRFIUFISA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds3

About (Z)-4-(thiolan-2-yl)but-3-en-1-ol

(Z)-4-(thiolan-2-yl)but-3-en-1-ol (PubChem CID 117267574) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (Z)-4-(thiolan-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(thiolan-2-yl)but-3-en-1-ol
PubChem CID117267574
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(Z)-4-(thiolan-2-yl)but-3-en-1-ol
SMILESOCC/C=C\C1CCCS1
InChIInChI=1S/C8H14OS/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8-9H,2-3,5-7H2/b4-1-
InChIKeyPNWNSMGQVQLYSE-RJRFIUFISA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2,5-Dihydro-2-thiophenemethanol
CID 12589175
2-Hydroxymethyl-5-methyl-2,5-dihydrothiophene
CID 12589177
7-Thiabicyclo[2.2.1]hept-5-en-2-ol
CID 22618973
2-(5-Ethyl-2,3-dihydrothiophen-2-yl)ethanol
CID 68334967
2-(2,3-Dihydrothiophen-5-yl)ethanol
CID 89343424
2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol
CID 123656565
1-(4H-thiopyran-2-yl)butan-2-ol
CID 143415176
3-[(E)-hex-1-enyl]sulfanyl-4-methylpent-3-en-1-ol
CID 154982095
3,6-dihydro-2H-thiopyran-2-ol
CID 175748087
2-Cyclopent-2-en-1-ylsulfanylethanol
CID 247168
[(2R)-2,5-dihydrothiophen-2-yl]methanol
CID 10909545
[(2S)-5-methyl-2,5-dihydrothiophen-2-yl]methanol
CID 60030283

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(thiolan-2-yl)but-3-en-1-ol?
The IUPAC name of (Z)-4-(thiolan-2-yl)but-3-en-1-ol (CID 117267574) is (Z)-4-(thiolan-2-yl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(thiolan-2-yl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(thiolan-2-yl)but-3-en-1-ol is OCC/C=C\C1CCCS1.
What is the InChIKey of (Z)-4-(thiolan-2-yl)but-3-en-1-ol?
The InChIKey is PNWNSMGQVQLYSE-RJRFIUFISA-N. The full InChI is InChI=1S/C8H14OS/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8-9H,2-3,5-7H2/b4-1-.
What are the key properties of (Z)-4-(thiolan-2-yl)but-3-en-1-ol?
(Z)-4-(thiolan-2-yl)but-3-en-1-ol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(thiolan-2-yl)but-3-en-1-ol is sourced from PubChem (CID 117267574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).