2-methyl-3-methylsulfanylpropan-1-ol

C5H12OS — CID 12056375

IUPAC2-methyl-3-methylsulfanylpropan-1-ol
SMILESCSCC(C)CO
InChIInChI=1S/C5H12OS/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyNYVHEVOGMWMRLJ-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.98
Rot. Bonds3

About 2-methyl-3-methylsulfanylpropan-1-ol

2-methyl-3-methylsulfanylpropan-1-ol (PubChem CID 12056375) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-methylsulfanylpropan-1-ol
PubChem CID12056375
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-methyl-3-methylsulfanylpropan-1-ol
SMILESCSCC(C)CO
InChIInChI=1S/C5H12OS/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyNYVHEVOGMWMRLJ-UHFFFAOYSA-N
XLogP0.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-methylsulfanylpropan-1-ol (CID 12056375) is 2-methyl-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-methylsulfanylpropan-1-ol is CSCC(C)CO.
What is the InChIKey of 2-methyl-3-methylsulfanylpropan-1-ol?
The InChIKey is NYVHEVOGMWMRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanylpropan-1-ol?
2-methyl-3-methylsulfanylpropan-1-ol has a molecular weight of 120.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 12056375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).