1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol

C7H16O2S — CID 20834293

IUPAC1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol
SMILESCSCC(C)OCC(C)O
InChIInChI=1S/C7H16O2S/c1-6(8)4-9-7(2)5-10-3/h6-8H,4-5H2,1-3H3
InChIKeyWYHWTENYOVYBQX-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.14
Rot. Bonds5

About 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol

1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol (PubChem CID 20834293) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol
PubChem CID20834293
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol
SMILESCSCC(C)OCC(C)O
InChIInChI=1S/C7H16O2S/c1-6(8)4-9-7(2)5-10-3/h6-8H,4-5H2,1-3H3
InChIKeyWYHWTENYOVYBQX-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Butylsulfinyl)-3-ethoxy-2-propanol
CID 2842988
3-(Methylthio)-1,2-propanediol
CID 90802
3-(Butylthio)propane-1,2-diol
CID 3020344
1-Butoxy-3-sulfanylpropan-2-ol
CID 14249199
2-Propanol, 1-(1-methyl-2-(1-methyl-2-(methylthio)ethoxy)ethoxy)-
CID 5748724
4,7,10,13,16-Pentaoxa-19-thiaeicosan-2-ol, 5,8,11,14,17-pentamethyl-
CID 5748727
4,7,10,13,16,19-Hexaoxa-22-thiatricosan-2-ol, 5,8,11,14,17,20-hexamethyl-
CID 5748729
2-Propanol, 1-(1-methyl-2-(methylthio)ethoxy)-
CID 5748730
2-Propanol, 1-[1-methyl-2-[1-methyl-2-(methylthio)ethoxy]ethoxy]-
CID 20834287
5,8,11-Trimethyl-4,7,10-trioxa-13-thiatetradecan-2-ol
CID 20834289
5,8,11,14-Tetramethyl-4,7,10,13-tetraoxa-16-thiaheptadecan-2-ol
CID 20834291
1-((2-Hydroxyethyl)thio)-3-(3-((2-hydroxyethyl)thio)propoxy)propan-2-ol
CID 3019035

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol (CID 20834293) is 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol is CSCC(C)OCC(C)O.
What is the InChIKey of 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol?
The InChIKey is WYHWTENYOVYBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-6(8)4-9-7(2)5-10-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol?
1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol has a molecular weight of 164.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylpropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 20834293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).