1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol

C10H22O4S — CID 139888300

IUPAC1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
SMILESCC(O)CC(O)CSCC(O)CC(C)O
InChIInChI=1S/C10H22O4S/c1-7(11)3-9(13)5-15-6-10(14)4-8(2)12/h7-14H,3-6H2,1-2H3
InChIKeyZHDYSINNEYMCLX-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.02
Rot. Bonds8

About 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol

1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol (PubChem CID 139888300) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol.

Molecular Properties

Compound Name1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
PubChem CID139888300
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
SMILESCC(O)CC(O)CSCC(O)CC(C)O
InChIInChI=1S/C10H22O4S/c1-7(11)3-9(13)5-15-6-10(14)4-8(2)12/h7-14H,3-6H2,1-2H3
InChIKeyZHDYSINNEYMCLX-UHFFFAOYSA-N
XLogP-0.02
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 106933414
decane-2,4,7,9-tetrol
CID 87436016
1-(2,4-dihydroxyhexylsulfanyl)hexane-2,4-diol
CID 139888298
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
oxotitanium;bis(pentane-2,4-diol)
CID 166004724
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
tris(pentane-2,4-diol);ruthenium
CID 5231187
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
heptane-2,4-diol
CID 161420509
carbanide;hexane-2,4-diol;yttrium
CID 59749638

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol?
The IUPAC name of 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol (CID 139888300) is 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol.
What is the SMILES notation for 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol?
The canonical SMILES for 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol is CC(O)CC(O)CSCC(O)CC(C)O.
What is the InChIKey of 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol?
The InChIKey is ZHDYSINNEYMCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-7(11)3-9(13)5-15-6-10(14)4-8(2)12/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol?
1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol has a molecular weight of 238.35 g/mol, XLogP of -0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol is sourced from PubChem (CID 139888300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).