2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol

C7H16O2S2 — CID 40543861

IUPAC2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol
SMILESC[C@H](CSCCO)SCCO
InChIInChI=1S/C7H16O2S2/c1-7(11-5-3-9)6-10-4-2-8/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyCHXNAPONCKOVJP-SSDOTTSWSA-N
MW196.34 g/mol
LogP0.83
Rot. Bonds7

About 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol

2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol (PubChem CID 40543861) has the molecular formula C7H16O2S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol.

Molecular Properties

Compound Name2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol
PubChem CID40543861
Molecular FormulaC7H16O2S2
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol
SMILESC[C@H](CSCCO)SCCO
InChIInChI=1S/C7H16O2S2/c1-7(11-5-3-9)6-10-4-2-8/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyCHXNAPONCKOVJP-SSDOTTSWSA-N
XLogP0.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
CID 54291740
1-(2-hydroxyethylsulfanyl)butane-2,3-diol
CID 23362546
2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol
CID 172766177
1-(2-hexylsulfanylpropylsulfanyl)hexane
CID 4232997
2-[1-(2-hydroxyethylsulfanyl)-2-methylpropyl]sulfanylethanol
CID 154121869
(2S)-1-(2-hydroxyethylsulfanyl)butan-2-ol
CID 130572118
2-[(2R)-1-[2-[(2S)-2-(2-hydroxyethylsulfanyl)-3-sulfanylpropyl]sulfanylethylsulfanyl]-3-sulfanylpropan-2-yl]sulfanylethanol
CID 150798859
2-(3-fluorobutylsulfanyl)ethanol
CID 130735395
3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol
CID 23072601
1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
CID 57258331
2-but-3-en-2-ylsulfanylethanol
CID 62382879
2-[2-(ethylamino)butylsulfanyl]ethanol
CID 64612947

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol?
The IUPAC name of 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol (CID 40543861) is 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol.
What is the SMILES notation for 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol?
The canonical SMILES for 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol is C[C@H](CSCCO)SCCO.
What is the InChIKey of 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol?
The InChIKey is CHXNAPONCKOVJP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16O2S2/c1-7(11-5-3-9)6-10-4-2-8/h7-9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol?
2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol has a molecular weight of 196.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol is sourced from PubChem (CID 40543861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).