1-sulfanylpropan-1-ol

C3H8OS — CID 3017470

IUPAC1-sulfanylpropan-1-ol
SMILESCCC(O)S
InChIInChI=1S/C3H8OS/c1-2-3(4)5/h3-5H,2H2,1H3
InChIKeyAEUVIXACNOXTBX-UHFFFAOYSA-N
MW92.16 g/mol
LogP0.64
Rot. Bonds1

About 1-sulfanylpropan-1-ol

1-sulfanylpropan-1-ol (PubChem CID 3017470) has the molecular formula C3H8OS and a molecular weight of 92.16 g/mol. Its IUPAC name is 1-sulfanylpropan-1-ol.

Molecular Properties

Compound Name1-sulfanylpropan-1-ol
PubChem CID3017470
Molecular FormulaC3H8OS
Molecular Weight92.16 g/mol
Exact Mass92.03
IUPAC Name1-sulfanylpropan-1-ol
SMILESCCC(O)S
InChIInChI=1S/C3H8OS/c1-2-3(4)5/h3-5H,2H2,1H3
InChIKeyAEUVIXACNOXTBX-UHFFFAOYSA-N
XLogP0.64
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-sulfanylpropan-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

Dimercaprol
CID 3080
2-Mercapto-3-butanol
CID 62087
3-Mercaptopropanol
CID 88211
3-Sulfanylpentan-1-ol
CID 480012
1-Mercapto-2-propanol
CID 102545
2-Methyl-3-sulfanylpropan-1-ol
CID 529079
Dimercaprol, (S)-
CID 3246063
rel-(2R,3S)-3-Mercapto-2-butanol
CID 641834
(2S)-1-sulfanylpropan-2-ol
CID 10898643
2-Mercaptopropanol
CID 102921
1-Sulfanylbutan-2-ol
CID 547684
4-Sulfanylbutan-1-ol
CID 548261

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpropan-1-ol?
The IUPAC name of 1-sulfanylpropan-1-ol (CID 3017470) is 1-sulfanylpropan-1-ol.
What is the SMILES notation for 1-sulfanylpropan-1-ol?
The canonical SMILES for 1-sulfanylpropan-1-ol is CCC(O)S.
What is the InChIKey of 1-sulfanylpropan-1-ol?
The InChIKey is AEUVIXACNOXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS/c1-2-3(4)5/h3-5H,2H2,1H3.
What are the key properties of 1-sulfanylpropan-1-ol?
1-sulfanylpropan-1-ol has a molecular weight of 92.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpropan-1-ol is sourced from PubChem (CID 3017470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).