1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol

C10H22O2S — CID 107751832

IUPAC1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol
SMILESCCOCC(O)CSCC(C)CC
InChIInChI=1S/C10H22O2S/c1-4-9(3)7-13-8-10(11)6-12-5-2/h9-11H,4-8H2,1-3H3
InChIKeyDUALMBHGBODCME-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.16
Rot. Bonds8

About 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol

1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol (PubChem CID 107751832) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol
PubChem CID107751832
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol
SMILESCCOCC(O)CSCC(C)CC
InChIInChI=1S/C10H22O2S/c1-4-9(3)7-13-8-10(11)6-12-5-2/h9-11H,4-8H2,1-3H3
InChIKeyDUALMBHGBODCME-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
CID 66225458
1-ethoxy-3-propylsulfanylpropan-2-ol
CID 63932362
1-ethoxy-3-propan-2-ylsulfanylpropan-2-ol
CID 63932975
1-chloro-3-(2-methylbutylsulfanyl)propan-2-ol
CID 107746916
1-(2-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
CID 66223596
2-methyl-1-(2-methylpropylsulfanyl)butane
CID 21026484
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276
2-(3-ethoxy-2-hydroxypropyl)sulfanylbutanoic acid
CID 105353371
1-decoxy-3-(3-decoxy-2-hydroxypropyl)sulfanylpropan-2-ol
CID 22141570
(2S)-1-[(4-chlorophenyl)methylsulfanyl]-3-ethoxypropan-2-ol
CID 2058941
1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
CID 107263348

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol (CID 107751832) is 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol is CCOCC(O)CSCC(C)CC.
What is the InChIKey of 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol?
The InChIKey is DUALMBHGBODCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-4-9(3)7-13-8-10(11)6-12-5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol?
1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol has a molecular weight of 206.35 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol is sourced from PubChem (CID 107751832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).