1-ethoxy-3-phenylsulfanylpropan-2-ol

C11H16O2S — CID 2953136

IUPAC1-ethoxy-3-phenylsulfanylpropan-2-ol
SMILESCCOCC(O)CSc1ccccc1
InChIInChI=1S/C11H16O2S/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3
InChIKeySCKGJPHLUGFMIA-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.18
Rot. Bonds6

About 1-ethoxy-3-phenylsulfanylpropan-2-ol

1-ethoxy-3-phenylsulfanylpropan-2-ol (PubChem CID 2953136) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-ethoxy-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-phenylsulfanylpropan-2-ol
PubChem CID2953136
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-ethoxy-3-phenylsulfanylpropan-2-ol
SMILESCCOCC(O)CSc1ccccc1
InChIInChI=1S/C11H16O2S/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3
InChIKeySCKGJPHLUGFMIA-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylthio)-1,2-propanediol
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phenyl thio-beta-D-galactopyranoside
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((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
Phenyl beta-D-thiogalactopyranoside
CID 314404
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-ethoxy-3-phenylsulfanylpropan-2-ol (CID 2953136) is 1-ethoxy-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-ethoxy-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-ethoxy-3-phenylsulfanylpropan-2-ol is CCOCC(O)CSc1ccccc1.
What is the InChIKey of 1-ethoxy-3-phenylsulfanylpropan-2-ol?
The InChIKey is SCKGJPHLUGFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3.
What are the key properties of 1-ethoxy-3-phenylsulfanylpropan-2-ol?
1-ethoxy-3-phenylsulfanylpropan-2-ol has a molecular weight of 212.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 2953136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).