6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol

C8H18O2S2 — CID 91556419

IUPAC6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol
SMILESOCCCCCCSC(O)CS
InChIInChI=1S/C8H18O2S2/c9-5-3-1-2-4-6-12-8(10)7-11/h8-11H,1-7H2
InChIKeyGXUWBELDEHWIQJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.52
Rot. Bonds8

About 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol

6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol (PubChem CID 91556419) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol
PubChem CID91556419
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol
SMILESOCCCCCCSC(O)CS
InChIInChI=1S/C8H18O2S2/c9-5-3-1-2-4-6-12-8(10)7-11/h8-11H,1-7H2
InChIKeyGXUWBELDEHWIQJ-UHFFFAOYSA-N
XLogP1.52
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxybutylsulfanyl)butan-2-ol
CID 107771373
9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
6-sulfanylhexane-1,5-diol
CID 87070594
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
9-sulfanylnonan-1-ol
CID 46201499
35-sulfanylpentatriacontan-1-ol
CID 87682399

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol?
The IUPAC name of 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol (CID 91556419) is 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol.
What is the SMILES notation for 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol?
The canonical SMILES for 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol is OCCCCCCSC(O)CS.
What is the InChIKey of 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol?
The InChIKey is GXUWBELDEHWIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c9-5-3-1-2-4-6-12-8(10)7-11/h8-11H,1-7H2.
What are the key properties of 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol?
6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-sulfanylethyl)sulfanylhexan-1-ol is sourced from PubChem (CID 91556419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).