gold;4-sulfanylbutanoic acid

C4H8AuO2S — CID 146171695

IUPACgold;4-sulfanylbutanoic acid
SMILESO=C(O)CCCS.[Au]
InChIInChI=1S/C4H8O2S.Au/c5-4(6)2-1-3-7;/h7H,1-3H2,(H,5,6);
InChIKeyBMSWYKNNNLCBPI-UHFFFAOYSA-N
MW317.14 g/mol
LogP0.78
Rot. Bonds3

About gold;4-sulfanylbutanoic acid

gold;4-sulfanylbutanoic acid (PubChem CID 146171695) has the molecular formula C4H8AuO2S and a molecular weight of 317.14 g/mol. Its IUPAC name is gold;4-sulfanylbutanoic acid.

Molecular Properties

Compound Namegold;4-sulfanylbutanoic acid
PubChem CID146171695
Molecular FormulaC4H8AuO2S
Molecular Weight317.14 g/mol
Exact Mass316.99
IUPAC Namegold;4-sulfanylbutanoic acid
SMILESO=C(O)CCCS.[Au]
InChIInChI=1S/C4H8O2S.Au/c5-4(6)2-1-3-7;/h7H,1-3H2,(H,5,6);
InChIKeyBMSWYKNNNLCBPI-UHFFFAOYSA-N
XLogP0.78
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of gold;4-sulfanylbutanoic acid?
The IUPAC name of gold;4-sulfanylbutanoic acid (CID 146171695) is gold;4-sulfanylbutanoic acid.
What is the SMILES notation for gold;4-sulfanylbutanoic acid?
The canonical SMILES for gold;4-sulfanylbutanoic acid is O=C(O)CCCS.[Au].
What is the InChIKey of gold;4-sulfanylbutanoic acid?
The InChIKey is BMSWYKNNNLCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.Au/c5-4(6)2-1-3-7;/h7H,1-3H2,(H,5,6);.
What are the key properties of gold;4-sulfanylbutanoic acid?
gold;4-sulfanylbutanoic acid has a molecular weight of 317.14 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;4-sulfanylbutanoic acid is sourced from PubChem (CID 146171695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).