2-methylsulfanylbutan-1-ol

C5H12OS — CID 15720791

IUPAC2-methylsulfanylbutan-1-ol
SMILESCCC(CO)SC
InChIInChI=1S/C5H12OS/c1-3-5(4-6)7-2/h5-6H,3-4H2,1-2H3
InChIKeyHOTCDZJYDMTSAI-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.12
Rot. Bonds3

About 2-methylsulfanylbutan-1-ol

2-methylsulfanylbutan-1-ol (PubChem CID 15720791) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-methylsulfanylbutan-1-ol
PubChem CID15720791
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-methylsulfanylbutan-1-ol
SMILESCCC(CO)SC
InChIInChI=1S/C5H12OS/c1-3-5(4-6)7-2/h5-6H,3-4H2,1-2H3
InChIKeyHOTCDZJYDMTSAI-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 2-methylsulfanylbutan-1-ol?
The IUPAC name of 2-methylsulfanylbutan-1-ol (CID 15720791) is 2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-methylsulfanylbutan-1-ol is CCC(CO)SC.
What is the InChIKey of 2-methylsulfanylbutan-1-ol?
The InChIKey is HOTCDZJYDMTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-3-5(4-6)7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methylsulfanylbutan-1-ol?
2-methylsulfanylbutan-1-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 2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 15720791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).