(Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol

C8H14O2S — CID 13042453

IUPAC(Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
SMILESCC(O)/C=C\S/C=C\C(C)O
InChIInChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3/b5-3-,6-4-
InChIKeyLHWAUUWPKFTTMR-GLIMQPGKSA-N
MW174.27 g/mol
LogP1.51
Rot. Bonds4

About (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol

(Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol (PubChem CID 13042453) has the molecular formula C8H14O2S and a molecular weight of 174.27 g/mol. Its IUPAC name is (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
PubChem CID13042453
Molecular FormulaC8H14O2S
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name(Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol
SMILESCC(O)/C=C\S/C=C\C(C)O
InChIInChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3/b5-3-,6-4-
InChIKeyLHWAUUWPKFTTMR-GLIMQPGKSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
The IUPAC name of (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol (CID 13042453) is (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol is CC(O)/C=C\S/C=C\C(C)O.
What is the InChIKey of (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
The InChIKey is LHWAUUWPKFTTMR-GLIMQPGKSA-N. The full InChI is InChI=1S/C8H14O2S/c1-7(9)3-5-11-6-4-8(2)10/h3-10H,1-2H3/b5-3-,6-4-.
What are the key properties of (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol?
(Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol has a molecular weight of 174.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(Z)-3-hydroxybut-1-enyl]sulfanylbut-3-en-2-ol is sourced from PubChem (CID 13042453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).