1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol

C8H18O2S — CID 63928593

IUPAC1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCOCC(O)CSCC(C)C
InChIInChI=1S/C8H18O2S/c1-7(2)5-11-6-8(9)4-10-3/h7-9H,4-6H2,1-3H3
InChIKeyOAQFODKSXHLXKS-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.38
Rot. Bonds6

About 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol

1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol (PubChem CID 63928593) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
PubChem CID63928593
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCOCC(O)CSCC(C)C
InChIInChI=1S/C8H18O2S/c1-7(2)5-11-6-8(9)4-10-3/h7-9H,4-6H2,1-3H3
InChIKeyOAQFODKSXHLXKS-UHFFFAOYSA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
1,5-dimethoxypentane-2,4-diol
CID 88937884
1-(2,2-difluoroethylsulfanyl)-2-methylpropane
CID 126994381
ethyl 3-hydroxy-4-(2-methylpropylsulfanyl)butanoate
CID 82775235
1-(2-amino-2-methylpropyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106990993
1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol
CID 115476409
1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
CID 63928381
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
CID 139888300

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol (CID 63928593) is 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol is COCC(O)CSCC(C)C.
What is the InChIKey of 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol?
The InChIKey is OAQFODKSXHLXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-7(2)5-11-6-8(9)4-10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol?
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol has a molecular weight of 178.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol is sourced from PubChem (CID 63928593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).