3-methylsulfanylpropan-1-ol

C4H10OS — CID 10448

IUPAC3-methylsulfanylpropan-1-ol
SMILESCSCCCO
InChIInChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKeyCZUGFKJYCPYHHV-UHFFFAOYSA-N
MW106.19 g/mol
LogP0.73
Rot. Bonds3

About 3-methylsulfanylpropan-1-ol

3-methylsulfanylpropan-1-ol (PubChem CID 10448) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-methylsulfanylpropan-1-ol
PubChem CID10448
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name3-methylsulfanylpropan-1-ol
SMILESCSCCCO
InChIInChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKeyCZUGFKJYCPYHHV-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Ethylthio)ethanol
CID 8075
gamma-Hydroxypropyl ethyl sulfide
CID 87762
4-(Methylthio)butanol
CID 519793
2-(Butylthio)ethanol
CID 79241
3-((2-Hydroxyethyl)sulfanyl)propan-1-ol
CID 220278
2-Propanol, 1-(methylthio)-
CID 97869
3-(Ethylthio)-1-butanol
CID 23039305
2-(Propylthio)ethanol
CID 89850
2-(tert-Butylthio)ethanol
CID 79379
4-(Methylthio)-2-butanol
CID 12659797
3,3'-Thiodipropan-1-ol
CID 66358
2-((1-Methylethyl)thio)ethanol
CID 101268

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpropan-1-ol?
The IUPAC name of 3-methylsulfanylpropan-1-ol (CID 10448) is 3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 3-methylsulfanylpropan-1-ol?
The canonical SMILES for 3-methylsulfanylpropan-1-ol is CSCCCO.
What is the InChIKey of 3-methylsulfanylpropan-1-ol?
The InChIKey is CZUGFKJYCPYHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 3-methylsulfanylpropan-1-ol?
3-methylsulfanylpropan-1-ol has a molecular weight of 106.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 10448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).