4-sulfanyldecanoic acid

C10H20O2S — CID 57100118

IUPAC4-sulfanyldecanoic acid
SMILESCCCCCCC(S)CCC(=O)O
InChIInChI=1S/C10H20O2S/c1-2-3-4-5-6-9(13)7-8-10(11)12/h9,13H,2-8H2,1H3,(H,11,12)
InChIKeyZFQDBTKTBBAZQE-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.12
Rot. Bonds8

About 4-sulfanyldecanoic acid

4-sulfanyldecanoic acid (PubChem CID 57100118) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 4-sulfanyldecanoic acid.

Molecular Properties

Compound Name4-sulfanyldecanoic acid
PubChem CID57100118
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name4-sulfanyldecanoic acid
SMILESCCCCCCC(S)CCC(=O)O
InChIInChI=1S/C10H20O2S/c1-2-3-4-5-6-9(13)7-8-10(11)12/h9,13H,2-8H2,1H3,(H,11,12)
InChIKeyZFQDBTKTBBAZQE-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

10-sulfanyloctadecanoic acid
CID 57260678
3-sulfanylhenicosanoic acid
CID 57128835
dodecane-6-thiol
CID 18757094
4-decyl-11-pentylnonadecanoic acid
CID 57279723
6-sulfanyl-9-sulfanylidenedodecanoic acid
CID 57083574
2-sulfanyloctanoic acid;6-sulfanyloctanoic acid
CID 141196496
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
4-hydroxyhexadecanoic acid
CID 5282904
8-methyl-4-sulfanylnonanoic acid
CID 19920809
4-methyltetradecanoic acid
CID 23454322
4,7-bis(sulfanyl)heptanoic acid
CID 87537007

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyldecanoic acid?
The IUPAC name of 4-sulfanyldecanoic acid (CID 57100118) is 4-sulfanyldecanoic acid.
What is the SMILES notation for 4-sulfanyldecanoic acid?
The canonical SMILES for 4-sulfanyldecanoic acid is CCCCCCC(S)CCC(=O)O.
What is the InChIKey of 4-sulfanyldecanoic acid?
The InChIKey is ZFQDBTKTBBAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-2-3-4-5-6-9(13)7-8-10(11)12/h9,13H,2-8H2,1H3,(H,11,12).
What are the key properties of 4-sulfanyldecanoic acid?
4-sulfanyldecanoic acid has a molecular weight of 204.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyldecanoic acid is sourced from PubChem (CID 57100118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).