2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol

C7H16O2S — CID 20669297

IUPAC2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol
SMILESCSCCC(C)(CO)CO
InChIInChI=1S/C7H16O2S/c1-7(5-8,6-9)3-4-10-2/h8-9H,3-6H2,1-2H3
InChIKeySLYFAWXZSSMETB-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.73
Rot. Bonds5

About 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol

2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol (PubChem CID 20669297) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol
PubChem CID20669297
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol
SMILESCSCCC(C)(CO)CO
InChIInChI=1S/C7H16O2S/c1-7(5-8,6-9)3-4-10-2/h8-9H,3-6H2,1-2H3
InChIKeySLYFAWXZSSMETB-UHFFFAOYSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butanol, 3,3-dimethyl-1-(methylthio)-
CID 10855630
2-Methyl-2-[(methylsulfanyl)methyl]butane-1,3-diol
CID 138402888
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diol
CID 116628026
(4-Hydroxy-2-methylbutan-2-yl)-dimethylsulfanium
CID 13156730
3,3-Dimethyl-2-methylsulfanylbutan-1-ol
CID 13720555
[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]sulfanyl-methylsulfanylmethanone
CID 101432647
4-[3-(4-Hydroxy-3,3-dimethylbutyl)sulfanylpropylsulfanyl]-2,2-dimethylbutan-1-ol
CID 9966396
2-(Hydroxymethylsulfanylmethyl)-2-methylpropane-1,3-diol
CID 13136533
2-(Hydroxymethyl)-2-propylsulfanylpropane-1,3-diol
CID 13136534
4-[2-(4-Hydroxy-3,3-dimethylbutyl)sulfanylethylsulfanyl]-2,2-dimethylbutan-1-ol
CID 20633430
2,2-Bis(methylsulfanylmethyl)propane-1,3-diol
CID 20691791
2,2-Di-(hydroxymethyl)-butanethiol
CID 21217019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol (CID 20669297) is 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol is CSCCC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol?
The InChIKey is SLYFAWXZSSMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-7(5-8,6-9)3-4-10-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol?
2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol has a molecular weight of 164.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfanylethyl)propane-1,3-diol is sourced from PubChem (CID 20669297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).