4-methylsulfanylbutan-2-ol

C5H12OS — CID 12659797

IUPAC4-methylsulfanylbutan-2-ol
SMILESCSCCC(C)O
InChIInChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyBQFFCKMCUHRYIN-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.12
Rot. Bonds3

About 4-methylsulfanylbutan-2-ol

4-methylsulfanylbutan-2-ol (PubChem CID 12659797) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name4-methylsulfanylbutan-2-ol
PubChem CID12659797
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name4-methylsulfanylbutan-2-ol
SMILESCSCCC(C)O
InChIInChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyBQFFCKMCUHRYIN-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylbutan-2-ol?
The IUPAC name of 4-methylsulfanylbutan-2-ol (CID 12659797) is 4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 4-methylsulfanylbutan-2-ol?
The canonical SMILES for 4-methylsulfanylbutan-2-ol is CSCCC(C)O.
What is the InChIKey of 4-methylsulfanylbutan-2-ol?
The InChIKey is BQFFCKMCUHRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methylsulfanylbutan-2-ol?
4-methylsulfanylbutan-2-ol has a molecular weight of 120.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 12659797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).