ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal

C10H22O5S — CID 174813976

IUPACethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)C(O)C(O)C(O)C=O.CCSCC
InChIInChI=1S/C6H12O5.C4H10S/c1-3(8)5(10)6(11)4(9)2-7;1-3-5-4-2/h2-6,8-11H,1H3;3-4H2,1-2H3
InChIKeyQSHLHHLKNVTBEY-UHFFFAOYSA-N
MW254.35 g/mol
LogP-0.59
Rot. Bonds6

About ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal

ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal (PubChem CID 174813976) has the molecular formula C10H22O5S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Nameethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal
PubChem CID174813976
Molecular FormulaC10H22O5S
Molecular Weight254.35 g/mol
Exact Mass254.12
IUPAC Nameethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)C(O)C(O)C(O)C=O.CCSCC
InChIInChI=1S/C6H12O5.C4H10S/c1-3(8)5(10)6(11)4(9)2-7;1-3-5-4-2/h2-6,8-11H,1H3;3-4H2,1-2H3
InChIKeyQSHLHHLKNVTBEY-UHFFFAOYSA-N
XLogP-0.59
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal (CID 174813976) is ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal is CC(O)C(O)C(O)C(O)C=O.CCSCC.
What is the InChIKey of ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal?
The InChIKey is QSHLHHLKNVTBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5.C4H10S/c1-3(8)5(10)6(11)4(9)2-7;1-3-5-4-2/h2-6,8-11H,1H3;3-4H2,1-2H3.
What are the key properties of ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal?
ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal has a molecular weight of 254.35 g/mol, XLogP of -0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane;2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 174813976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).