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

C8H14OS — CID 117267314

IUPAC(Z)-4-(thiolan-3-yl)but-3-en-1-ol
SMILESOCC/C=C\C1CCSC1
InChIInChI=1S/C8H14OS/c9-5-2-1-3-8-4-6-10-7-8/h1,3,8-9H,2,4-7H2/b3-1-
InChIKeyGXLWCLKZZWMIEI-IWQZZHSRSA-N
MW158.27 g/mol
LogP1.68
Rot. Bonds3

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

(Z)-4-(thiolan-3-yl)but-3-en-1-ol (PubChem CID 117267314) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (Z)-4-(thiolan-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(thiolan-3-yl)but-3-en-1-ol
PubChem CID117267314
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(Z)-4-(thiolan-3-yl)but-3-en-1-ol
SMILESOCC/C=C\C1CCSC1
InChIInChI=1S/C8H14OS/c9-5-2-1-3-8-4-6-10-7-8/h1,3,8-9H,2,4-7H2/b3-1-
InChIKeyGXLWCLKZZWMIEI-IWQZZHSRSA-N
XLogP1.68
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 ≤ 51.68
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

(E)-5-ethylsulfanyl-5-methyl-2-propan-2-ylhex-3-en-1-ol
CID 10632539
2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol
CID 118437128
2-(5-methyl-2-prop-1-en-2-yl-2H-thiophen-5-yl)ethanol
CID 118437143
2-(5-methyl-2H-thiophen-5-yl)ethanol
CID 118437192
(5-Methyl-2,3-dihydrothiophen-3-yl)methanol
CID 163822537
[4-(1,3-Dithiolan-2-yl)cyclobut-2-en-1-yl]methanol
CID 13539047
2,4-dimethyl-2-[(E)-prop-1-enyl]thiolan-3-ol
CID 14433338
4-[(E)-but-2-enyl]thiolan-3-ol
CID 83190166
3,6-dihydro-2H-thiopyran-3-ylmethanol
CID 102082775
3-(Thiolan-3-yl)prop-2-en-1-ol
CID 107133831
2-Methyl-3-(thiolan-3-yl)prop-2-en-1-ol
CID 107133832
(Z)-4-(thiolan-3-yl)but-2-en-1-ol
CID 117265992

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(thiolan-3-yl)but-3-en-1-ol?
The IUPAC name of (Z)-4-(thiolan-3-yl)but-3-en-1-ol (CID 117267314) is (Z)-4-(thiolan-3-yl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(thiolan-3-yl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(thiolan-3-yl)but-3-en-1-ol is OCC/C=C\C1CCSC1.
What is the InChIKey of (Z)-4-(thiolan-3-yl)but-3-en-1-ol?
The InChIKey is GXLWCLKZZWMIEI-IWQZZHSRSA-N. The full InChI is InChI=1S/C8H14OS/c9-5-2-1-3-8-4-6-10-7-8/h1,3,8-9H,2,4-7H2/b3-1-.
What are the key properties of (Z)-4-(thiolan-3-yl)but-3-en-1-ol?
(Z)-4-(thiolan-3-yl)but-3-en-1-ol has a molecular weight of 158.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(thiolan-3-yl)but-3-en-1-ol is sourced from PubChem (CID 117267314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).