1-methoxy-3-methylsulfanylpropan-2-ol

C5H12O2S — CID 63930061

IUPAC1-methoxy-3-methylsulfanylpropan-2-ol
SMILESCOCC(O)CSC
InChIInChI=1S/C5H12O2S/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
InChIKeyHFBYOHCIQQKMHM-UHFFFAOYSA-N
MW136.22 g/mol
LogP0.36
Rot. Bonds4

About 1-methoxy-3-methylsulfanylpropan-2-ol

1-methoxy-3-methylsulfanylpropan-2-ol (PubChem CID 63930061) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is 1-methoxy-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-methylsulfanylpropan-2-ol
PubChem CID63930061
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name1-methoxy-3-methylsulfanylpropan-2-ol
SMILESCOCC(O)CSC
InChIInChI=1S/C5H12O2S/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
InChIKeyHFBYOHCIQQKMHM-UHFFFAOYSA-N
XLogP0.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethylthiopropane-1,2-diol
CID 108509
3-(Methylthio)-1,2-propanediol
CID 90802
4-Methylthiobutane-1,2-diol
CID 191434
3-(Butylthio)propane-1,2-diol
CID 3020344
3-((2-Hydroxyethyl)thio)-1,2-propanediol
CID 102626
(R)-4-(methylthio)1,2-butanediol
CID 10920564
3-Propylthio-1,2-propanediol
CID 13777306
Threo-1,4-bis-(methylthio)-butan-2,3-diol
CID 22969572
S-methyl alpha-monothioglycerol
CID 88325839
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
CID 5748724
2-Propanol, 1-(1-methyl-2-(methylthio)ethoxy)-
CID 5748730
2-Propanol, 1-[1-methyl-2-[1-methyl-2-(methylthio)ethoxy]ethoxy]-
CID 20834287

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-methoxy-3-methylsulfanylpropan-2-ol (CID 63930061) is 1-methoxy-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-methylsulfanylpropan-2-ol is COCC(O)CSC.
What is the InChIKey of 1-methoxy-3-methylsulfanylpropan-2-ol?
The InChIKey is HFBYOHCIQQKMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-methylsulfanylpropan-2-ol?
1-methoxy-3-methylsulfanylpropan-2-ol has a molecular weight of 136.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 63930061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).