1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol

C8H14N2OS — CID 58858102

IUPAC1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol
SMILESCCC(O)CSc1nccn1C
InChIInChI=1S/C8H14N2OS/c1-3-7(11)6-12-8-9-4-5-10(8)2/h4-5,7,11H,3,6H2,1-2H3
InChIKeyTWLOQARUYVOYCK-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.28
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol

1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol (PubChem CID 58858102) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol
PubChem CID58858102
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol
SMILESCCC(O)CSc1nccn1C
InChIInChI=1S/C8H14N2OS/c1-3-7(11)6-12-8-9-4-5-10(8)2/h4-5,7,11H,3,6H2,1-2H3
InChIKeyTWLOQARUYVOYCK-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylimidazol-2-yl)sulfanylbutan-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 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol (CID 58858102) is 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol is CCC(O)CSc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol?
The InChIKey is TWLOQARUYVOYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-7(11)6-12-8-9-4-5-10(8)2/h4-5,7,11H,3,6H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol?
1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)sulfanylbutan-2-ol is sourced from PubChem (CID 58858102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).