1-ethoxy-4-methylsulfanylbutan-2-ol

C7H16O2S — CID 79566710

IUPAC1-ethoxy-4-methylsulfanylbutan-2-ol
SMILESCCOCC(O)CCSC
InChIInChI=1S/C7H16O2S/c1-3-9-6-7(8)4-5-10-2/h7-8H,3-6H2,1-2H3
InChIKeyLKMWLMDQGUHGIC-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.14
Rot. Bonds6

About 1-ethoxy-4-methylsulfanylbutan-2-ol

1-ethoxy-4-methylsulfanylbutan-2-ol (PubChem CID 79566710) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-ethoxy-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-ethoxy-4-methylsulfanylbutan-2-ol
PubChem CID79566710
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name1-ethoxy-4-methylsulfanylbutan-2-ol
SMILESCCOCC(O)CCSC
InChIInChI=1S/C7H16O2S/c1-3-9-6-7(8)4-5-10-2/h7-8H,3-6H2,1-2H3
InChIKeyLKMWLMDQGUHGIC-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-ethoxypentan-2-ol
CID 21201051
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
1-ethoxy-3-methylsulfanylpropan-1-ol
CID 143477996
1-ethoxy-5-methoxypentan-2-ol
CID 79566643
1-ethoxy-3-propylsulfanylpropan-2-ol
CID 63932362
1-ethoxypropan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
CID 103489110
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
1-ethoxy-3-propan-2-ylsulfanylpropan-2-ol
CID 63932975
2-amino-4-methylsulfanylbutanoic acid;ethoxyethane
CID 141375461

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylsulfanylbutan-2-ol?
The IUPAC name of 1-ethoxy-4-methylsulfanylbutan-2-ol (CID 79566710) is 1-ethoxy-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 1-ethoxy-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 1-ethoxy-4-methylsulfanylbutan-2-ol is CCOCC(O)CCSC.
What is the InChIKey of 1-ethoxy-4-methylsulfanylbutan-2-ol?
The InChIKey is LKMWLMDQGUHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-3-9-6-7(8)4-5-10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethoxy-4-methylsulfanylbutan-2-ol?
1-ethoxy-4-methylsulfanylbutan-2-ol has a molecular weight of 164.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 79566710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).