2-methyl-3-methylsulfinylpropan-1-ol

C5H12O2S — CID 54446892

IUPAC2-methyl-3-methylsulfinylpropan-1-ol
SMILESCC(CO)CS(C)=O
InChIInChI=1S/C5H12O2S/c1-5(3-6)4-8(2)7/h5-6H,3-4H2,1-2H3
InChIKeyPRWWBBFHFBEVPA-UHFFFAOYSA-N
MW136.22 g/mol
LogP-0.01
Rot. Bonds3

About 2-methyl-3-methylsulfinylpropan-1-ol

2-methyl-3-methylsulfinylpropan-1-ol (PubChem CID 54446892) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-methyl-3-methylsulfinylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-methylsulfinylpropan-1-ol
PubChem CID54446892
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name2-methyl-3-methylsulfinylpropan-1-ol
SMILESCC(CO)CS(C)=O
InChIInChI=1S/C5H12O2S/c1-5(3-6)4-8(2)7/h5-6H,3-4H2,1-2H3
InChIKeyPRWWBBFHFBEVPA-UHFFFAOYSA-N
XLogP-0.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfinylpropan-1-ol?
The IUPAC name of 2-methyl-3-methylsulfinylpropan-1-ol (CID 54446892) is 2-methyl-3-methylsulfinylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-methylsulfinylpropan-1-ol?
The canonical SMILES for 2-methyl-3-methylsulfinylpropan-1-ol is CC(CO)CS(C)=O.
What is the InChIKey of 2-methyl-3-methylsulfinylpropan-1-ol?
The InChIKey is PRWWBBFHFBEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-5(3-6)4-8(2)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfinylpropan-1-ol?
2-methyl-3-methylsulfinylpropan-1-ol has a molecular weight of 136.22 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfinylpropan-1-ol is sourced from PubChem (CID 54446892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).