2-methyl-3-methylsulfanylbutan-2-ol

C6H14OS — CID 15164380

IUPAC2-methyl-3-methylsulfanylbutan-2-ol
SMILESCSC(C)C(C)(C)O
InChIInChI=1S/C6H14OS/c1-5(8-4)6(2,3)7/h5,7H,1-4H3
InChIKeyYKKVMYFMALWNHX-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.51
Rot. Bonds2

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

2-methyl-3-methylsulfanylbutan-2-ol (PubChem CID 15164380) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-3-methylsulfanylbutan-2-ol
PubChem CID15164380
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methyl-3-methylsulfanylbutan-2-ol
SMILESCSC(C)C(C)(C)O
InChIInChI=1S/C6H14OS/c1-5(8-4)6(2,3)7/h5,7H,1-4H3
InChIKeyYKKVMYFMALWNHX-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanylbutan-2-ol?
The IUPAC name of 2-methyl-3-methylsulfanylbutan-2-ol (CID 15164380) is 2-methyl-3-methylsulfanylbutan-2-ol.
What is the SMILES notation for 2-methyl-3-methylsulfanylbutan-2-ol?
The canonical SMILES for 2-methyl-3-methylsulfanylbutan-2-ol is CSC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-methylsulfanylbutan-2-ol?
The InChIKey is YKKVMYFMALWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(8-4)6(2,3)7/h5,7H,1-4H3.
What are the key properties of 2-methyl-3-methylsulfanylbutan-2-ol?
2-methyl-3-methylsulfanylbutan-2-ol has a molecular weight of 134.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanylbutan-2-ol is sourced from PubChem (CID 15164380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).