3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol

C11H24O4S2 — CID 58761361

IUPAC3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol
SMILESCC(C)(CSCC(O)CO)CSCC(O)CO
InChIInChI=1S/C11H24O4S2/c1-11(2,7-16-5-9(14)3-12)8-17-6-10(15)4-13/h9-10,12-15H,3-8H2,1-2H3
InChIKeyGLQJRIWXKOIAGO-UHFFFAOYSA-N
MW284.44 g/mol
LogP0.19
Rot. Bonds10

About 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol

3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol (PubChem CID 58761361) has the molecular formula C11H24O4S2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol
PubChem CID58761361
Molecular FormulaC11H24O4S2
Molecular Weight284.44 g/mol
Exact Mass284.11
IUPAC Name3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol
SMILESCC(C)(CSCC(O)CO)CSCC(O)CO
InChIInChI=1S/C11H24O4S2/c1-11(2,7-16-5-9(14)3-12)8-17-6-10(15)4-13/h9-10,12-15H,3-8H2,1-2H3
InChIKeyGLQJRIWXKOIAGO-UHFFFAOYSA-N
XLogP0.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol (CID 58761361) is 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol is CC(C)(CSCC(O)CO)CSCC(O)CO.
What is the InChIKey of 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol?
The InChIKey is GLQJRIWXKOIAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S2/c1-11(2,7-16-5-9(14)3-12)8-17-6-10(15)4-13/h9-10,12-15H,3-8H2,1-2H3.
What are the key properties of 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol?
3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol has a molecular weight of 284.44 g/mol, XLogP of 0.19, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylpropyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 58761361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).