5,10-bis(sulfanyl)decanoic acid

C10H20O2S2 — CID 87537400

IUPAC5,10-bis(sulfanyl)decanoic acid
SMILESO=C(O)CCCC(S)CCCCCS
InChIInChI=1S/C10H20O2S2/c11-10(12)7-4-6-9(14)5-2-1-3-8-13/h9,13-14H,1-8H2,(H,11,12)
InChIKeyXBSPRLQTOKZUHG-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.03
Rot. Bonds9

About 5,10-bis(sulfanyl)decanoic acid

5,10-bis(sulfanyl)decanoic acid (PubChem CID 87537400) has the molecular formula C10H20O2S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5,10-bis(sulfanyl)decanoic acid.

Molecular Properties

Compound Name5,10-bis(sulfanyl)decanoic acid
PubChem CID87537400
Molecular FormulaC10H20O2S2
Molecular Weight236.40 g/mol
Exact Mass236.09
IUPAC Name5,10-bis(sulfanyl)decanoic acid
SMILESO=C(O)CCCC(S)CCCCCS
InChIInChI=1S/C10H20O2S2/c11-10(12)7-4-6-9(14)5-2-1-3-8-13/h9,13-14H,1-8H2,(H,11,12)
InChIKeyXBSPRLQTOKZUHG-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-bis(sulfanyl)heptanoic acid
CID 87537007
33-sulfanyltritriacontanoic acid
CID 87682826
10-sulfanyloctadecanoic acid
CID 57260678
CID 126646561
CID 126646561
16-hydroxy-15-sulfanylhexadecanoic acid
CID 123963183
8-hydroxy-6-sulfanyloctanoic acid
CID 58947895
4-sulfanyldecanoic acid
CID 57100118
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(11-sulfanylundecanoic acid)
CID 173129717
gold;4-sulfanylbutanoic acid
CID 146171695
8-methyl-4-sulfanylnonanoic acid
CID 19920809
11-(1-hydroxy-11-sulfanylundecyl)sulfanylundecanoic acid
CID 123255297
2-(6-sulfanylhexyl)propanedioic acid
CID 87624256

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(sulfanyl)decanoic acid?
The IUPAC name of 5,10-bis(sulfanyl)decanoic acid (CID 87537400) is 5,10-bis(sulfanyl)decanoic acid.
What is the SMILES notation for 5,10-bis(sulfanyl)decanoic acid?
The canonical SMILES for 5,10-bis(sulfanyl)decanoic acid is O=C(O)CCCC(S)CCCCCS.
What is the InChIKey of 5,10-bis(sulfanyl)decanoic acid?
The InChIKey is XBSPRLQTOKZUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S2/c11-10(12)7-4-6-9(14)5-2-1-3-8-13/h9,13-14H,1-8H2,(H,11,12).
What are the key properties of 5,10-bis(sulfanyl)decanoic acid?
5,10-bis(sulfanyl)decanoic acid has a molecular weight of 236.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(sulfanyl)decanoic acid is sourced from PubChem (CID 87537400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).