(2S)-1-ethylsulfanylpropan-2-ol

C5H12OS — CID 10866320

IUPAC(2S)-1-ethylsulfanylpropan-2-ol
SMILESCCSC[C@H](C)O
InChIInChI=1S/C5H12OS/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGPZJYTNYOFOTAI-YFKPBYRVSA-N
MW120.22 g/mol
LogP1.12
Rot. Bonds3

About (2S)-1-ethylsulfanylpropan-2-ol

(2S)-1-ethylsulfanylpropan-2-ol (PubChem CID 10866320) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is (2S)-1-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-ethylsulfanylpropan-2-ol
PubChem CID10866320
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name(2S)-1-ethylsulfanylpropan-2-ol
SMILESCCSC[C@H](C)O
InChIInChI=1S/C5H12OS/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGPZJYTNYOFOTAI-YFKPBYRVSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 106933414
1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
CID 57258331
3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol
CID 106933407
4-ethylsulfanyl-2,3-dimethylbutan-1-ol
CID 142075292
(2R)-1-[2-(diethylamino)ethylsulfanyl]propan-2-ol
CID 106933404
4-(2-hydroxypropylsulfanyl)butan-1-ol
CID 141337745
(2R)-1-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]butan-2-ol
CID 98793114
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
1-[2-[3-(2-hydroxypropylsulfanyl)-2-[2-(2-hydroxypropylsulfanyl)ethylsulfanyl]propyl]sulfanylethylsulfanyl]propan-2-ol
CID 91170500
2-chloro-3-ethylsulfanylpropan-1-ol
CID 13308623
ethane;1-ethylsulfanyl-2-methylpentane
CID 143279191
ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)
CID 159022649

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-ethylsulfanylpropan-2-ol (CID 10866320) is (2S)-1-ethylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-ethylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-ethylsulfanylpropan-2-ol is CCSC[C@H](C)O.
What is the InChIKey of (2S)-1-ethylsulfanylpropan-2-ol?
The InChIKey is GPZJYTNYOFOTAI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12OS/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1-ethylsulfanylpropan-2-ol?
(2S)-1-ethylsulfanylpropan-2-ol has a molecular weight of 120.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 10866320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).