3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol

C9H20O6S — CID 57044013

IUPAC3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
SMILESOCC(O)COCC(CS)OCC(O)CO
InChIInChI=1S/C9H20O6S/c10-1-7(12)3-14-5-9(6-16)15-4-8(13)2-11/h7-13,16H,1-6H2
InChIKeyICHPDQRSXCBTPF-UHFFFAOYSA-N
MW256.32 g/mol
LogP-1.98
Rot. Bonds10

About 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol

3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol (PubChem CID 57044013) has the molecular formula C9H20O6S and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
PubChem CID57044013
Molecular FormulaC9H20O6S
Molecular Weight256.32 g/mol
Exact Mass256.10
IUPAC Name3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
SMILESOCC(O)COCC(CS)OCC(O)CO
InChIInChI=1S/C9H20O6S/c10-1-7(12)3-14-5-9(6-16)15-4-8(13)2-11/h7-13,16H,1-6H2
InChIKeyICHPDQRSXCBTPF-UHFFFAOYSA-N
XLogP-1.98
TPSA99.38 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
CID 159080569
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-[3-[1-(2,3-dihydroxypropoxy)-3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-[2-[2-[3-[2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-3-hydroxypropoxy]-2-[3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]-2-hydroxypropoxy]propoxy]ethoxymethoxy]ethoxy]propoxy]propan-2-yl]oxy-2-hydroxypropoxy]propane-1,2-diol
CID 122548024
3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
CID 126563059
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
3-[2-[2-[(2R)-3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol
CID 134336101

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol (CID 57044013) is 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol is OCC(O)COCC(CS)OCC(O)CO.
What is the InChIKey of 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol?
The InChIKey is ICHPDQRSXCBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6S/c10-1-7(12)3-14-5-9(6-16)15-4-8(13)2-11/h7-13,16H,1-6H2.
What are the key properties of 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol?
3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol has a molecular weight of 256.32 g/mol, XLogP of -1.98, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol is sourced from PubChem (CID 57044013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).