3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol

C6H14O3S — CID 106933414

IUPAC3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
SMILESC[C@@H](O)CSCC(O)CO
InChIInChI=1S/C6H14O3S/c1-5(8)3-10-4-6(9)2-7/h5-9H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeySYCZOFDOBDJYAY-LWOQYNTDSA-N
MW166.24 g/mol
LogP-0.55
Rot. Bonds5

About 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol

3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol (PubChem CID 106933414) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
PubChem CID106933414
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
SMILESC[C@@H](O)CSCC(O)CO
InChIInChI=1S/C6H14O3S/c1-5(8)3-10-4-6(9)2-7/h5-9H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeySYCZOFDOBDJYAY-LWOQYNTDSA-N
XLogP-0.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-hydroxypropyl]sulfanyl-2-methylpropan-1-ol
CID 106933407
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
CID 139888300
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
1-[2-(2-hydroxypropylsulfanyl)propylsulfanyl]propan-2-ol
CID 57258331
methanethiol;propane-1,2,3-triol
CID 19920877
(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
CID 97087748
3-(2-aminopentylsulfanyl)propane-1,2-diol
CID 79671997
propane-1,2-diol
CID 23506506
4-(2-hydroxypropylsulfanyl)butan-1-ol
CID 141337745
2-[[3-hydroxy-2-(hydroxymethyl)butyl]sulfanylmethyl]butane-1,3-diol
CID 88767613
3-[3,3-dimethyl-2-(methylamino)butyl]sulfanylpropane-1,2-diol
CID 79672011

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol (CID 106933414) is 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol is C[C@@H](O)CSCC(O)CO.
What is the InChIKey of 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol?
The InChIKey is SYCZOFDOBDJYAY-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H14O3S/c1-5(8)3-10-4-6(9)2-7/h5-9H,2-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol?
3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol has a molecular weight of 166.24 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 106933414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).