3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol

C7H16O2S — CID 66129136

IUPAC3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
SMILESCOCC(C)SCCCO
InChIInChI=1S/C7H16O2S/c1-7(6-9-2)10-5-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyXVHCNTLPCOVZPU-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.14
Rot. Bonds6

About 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol

3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol (PubChem CID 66129136) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
PubChem CID66129136
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
SMILESCOCC(C)SCCCO
InChIInChI=1S/C7H16O2S/c1-7(6-9-2)10-5-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyXVHCNTLPCOVZPU-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-methoxypropan-2-ylsulfanyl)propan-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

2-(4-methoxybutylsulfanyl)propan-1-ol
CID 115687888
3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66104725
2-ethylsulfanyl-1-methoxypropane
CID 126992573
methyl 3-(3-hydroxypropylsulfanyl)-2-methylbutanoate
CID 79392442
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
CID 104565085
3-amino-2-(3-methoxypropylsulfanyl)butan-1-ol
CID 64899616
hexan-1-ol;1-methoxypropan-2-ol
CID 87087697
2-(3-hydroxypropylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 66115880
1-methoxy-2-methylsulfanylpropane
CID 130750240
2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 63857263
2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 63856526
ethyl 3-(3-methoxypropylsulfanyl)butanoate
CID 63856812

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol (CID 66129136) is 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol is COCC(C)SCCCO.
What is the InChIKey of 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol?
The InChIKey is XVHCNTLPCOVZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-7(6-9-2)10-5-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol?
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol has a molecular weight of 164.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 66129136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).