3-methyl-4-methylsulfanylbutan-2-ol

C6H14OS — CID 71401551

IUPAC3-methyl-4-methylsulfanylbutan-2-ol
SMILESCSCC(C)C(C)O
InChIInChI=1S/C6H14OS/c1-5(4-8-3)6(2)7/h5-7H,4H2,1-3H3
InChIKeyKIHMBHOENAOANZ-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.37
Rot. Bonds3

About 3-methyl-4-methylsulfanylbutan-2-ol

3-methyl-4-methylsulfanylbutan-2-ol (PubChem CID 71401551) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-4-methylsulfanylbutan-2-ol
PubChem CID71401551
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name3-methyl-4-methylsulfanylbutan-2-ol
SMILESCSCC(C)C(C)O
InChIInChI=1S/C6H14OS/c1-5(4-8-3)6(2)7/h5-7H,4H2,1-3H3
InChIKeyKIHMBHOENAOANZ-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanylbutan-2-ol?
The IUPAC name of 3-methyl-4-methylsulfanylbutan-2-ol (CID 71401551) is 3-methyl-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 3-methyl-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 3-methyl-4-methylsulfanylbutan-2-ol is CSCC(C)C(C)O.
What is the InChIKey of 3-methyl-4-methylsulfanylbutan-2-ol?
The InChIKey is KIHMBHOENAOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(4-8-3)6(2)7/h5-7H,4H2,1-3H3.
What are the key properties of 3-methyl-4-methylsulfanylbutan-2-ol?
3-methyl-4-methylsulfanylbutan-2-ol has a molecular weight of 134.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 71401551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).