2-methylsulfanylpropan-1-ol

C4H10OS — CID 13039565

IUPAC2-methylsulfanylpropan-1-ol
SMILESCSC(C)CO
InChIInChI=1S/C4H10OS/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
InChIKeyGXCIVMULHWHONI-UHFFFAOYSA-N
MW106.19 g/mol
LogP0.73
Rot. Bonds2

About 2-methylsulfanylpropan-1-ol

2-methylsulfanylpropan-1-ol (PubChem CID 13039565) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methylsulfanylpropan-1-ol
PubChem CID13039565
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name2-methylsulfanylpropan-1-ol
SMILESCSC(C)CO
InChIInChI=1S/C4H10OS/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
InChIKeyGXCIVMULHWHONI-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropan-1-ol?
The IUPAC name of 2-methylsulfanylpropan-1-ol (CID 13039565) is 2-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methylsulfanylpropan-1-ol?
The canonical SMILES for 2-methylsulfanylpropan-1-ol is CSC(C)CO.
What is the InChIKey of 2-methylsulfanylpropan-1-ol?
The InChIKey is GXCIVMULHWHONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-4(3-5)6-2/h4-5H,3H2,1-2H3.
What are the key properties of 2-methylsulfanylpropan-1-ol?
2-methylsulfanylpropan-1-ol has a molecular weight of 106.19 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropan-1-ol is sourced from PubChem (CID 13039565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).