3-sulfanyl-2-thiophen-2-ylpropan-1-ol

C7H10OS2 — CID 117240751

IUPAC3-sulfanyl-2-thiophen-2-ylpropan-1-ol
SMILESOCC(CS)c1cccs1
InChIInChI=1S/C7H10OS2/c8-4-6(5-9)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2
InChIKeyUXLMTGQQISAIGE-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.75
Rot. Bonds3

About 3-sulfanyl-2-thiophen-2-ylpropan-1-ol

3-sulfanyl-2-thiophen-2-ylpropan-1-ol (PubChem CID 117240751) has the molecular formula C7H10OS2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-sulfanyl-2-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-sulfanyl-2-thiophen-2-ylpropan-1-ol
PubChem CID117240751
Molecular FormulaC7H10OS2
Molecular Weight174.29 g/mol
Exact Mass174.02
IUPAC Name3-sulfanyl-2-thiophen-2-ylpropan-1-ol
SMILESOCC(CS)c1cccs1
InChIInChI=1S/C7H10OS2/c8-4-6(5-9)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2
InChIKeyUXLMTGQQISAIGE-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-sulfanyl-2-thiophen-2-ylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-(methylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240343
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
3-piperidin-1-yl-2-thiophen-2-ylpropan-1-ol
CID 117240379
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
CID 117240417
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
CID 117246313
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-2-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-sulfanyl-2-thiophen-2-ylpropan-1-ol (CID 117240751) is 3-sulfanyl-2-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-sulfanyl-2-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-sulfanyl-2-thiophen-2-ylpropan-1-ol is OCC(CS)c1cccs1.
What is the InChIKey of 3-sulfanyl-2-thiophen-2-ylpropan-1-ol?
The InChIKey is UXLMTGQQISAIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS2/c8-4-6(5-9)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2.
What are the key properties of 3-sulfanyl-2-thiophen-2-ylpropan-1-ol?
3-sulfanyl-2-thiophen-2-ylpropan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-2-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 117240751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).