hexyl 2-sulfanylbutanoate;silver

C10H20AgO2S — CID 87502481

IUPAChexyl 2-sulfanylbutanoate;silver
SMILESCCCCCCOC(=O)C(S)CC.[Ag]
InChIInChI=1S/C10H20O2S.Ag/c1-3-5-6-7-8-12-10(11)9(13)4-2;/h9,13H,3-8H2,1-2H3;
InChIKeyCHKVQQJWWVRNQZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.82
Rot. Bonds7

About hexyl 2-sulfanylbutanoate;silver

hexyl 2-sulfanylbutanoate;silver (PubChem CID 87502481) has the molecular formula C10H20AgO2S and a molecular weight of 312.20 g/mol. Its IUPAC name is hexyl 2-sulfanylbutanoate;silver.

Molecular Properties

Compound Namehexyl 2-sulfanylbutanoate;silver
PubChem CID87502481
Molecular FormulaC10H20AgO2S
Molecular Weight312.20 g/mol
Exact Mass311.02
IUPAC Namehexyl 2-sulfanylbutanoate;silver
SMILESCCCCCCOC(=O)C(S)CC.[Ag]
InChIInChI=1S/C10H20O2S.Ag/c1-3-5-6-7-8-12-10(11)9(13)4-2;/h9,13H,3-8H2,1-2H3;
InChIKeyCHKVQQJWWVRNQZ-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
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

octyl 2-sulfanyldecanoate;stannane
CID 173438957
icosyl 2-ethylbutanoate
CID 91709792
nonadecyl 2-ethylbutanoate
CID 91709791
undecyl 2,2-dibromoacetate
CID 71430039
octyl 2,2-dibromoacetate
CID 13035529
decyl 2-ethyldecanoate
CID 22665194
hexadecyl 2-ethyldecanoate
CID 22665192
didocosyl 2-icosylpropanedioate
CID 139968255
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
octacosyl 2-hydroxyoctadecanoate
CID 152554946

Frequently Asked Questions

What is the IUPAC name of hexyl 2-sulfanylbutanoate;silver?
The IUPAC name of hexyl 2-sulfanylbutanoate;silver (CID 87502481) is hexyl 2-sulfanylbutanoate;silver.
What is the SMILES notation for hexyl 2-sulfanylbutanoate;silver?
The canonical SMILES for hexyl 2-sulfanylbutanoate;silver is CCCCCCOC(=O)C(S)CC.[Ag].
What is the InChIKey of hexyl 2-sulfanylbutanoate;silver?
The InChIKey is CHKVQQJWWVRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S.Ag/c1-3-5-6-7-8-12-10(11)9(13)4-2;/h9,13H,3-8H2,1-2H3;.
What are the key properties of hexyl 2-sulfanylbutanoate;silver?
hexyl 2-sulfanylbutanoate;silver has a molecular weight of 312.20 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-sulfanylbutanoate;silver is sourced from PubChem (CID 87502481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).