gold(1+);3-hydroxypropane-1-thiolate

C3H7AuOS — CID 59980004

IUPACgold(1+);3-hydroxypropane-1-thiolate
SMILESOCCC[S-].[Au+]
InChIInChI=1S/C3H8OS.Au/c4-2-1-3-5;/h4-5H,1-3H2;/q;+1/p-1
InChIKeyDLAGPGOEBPNEKI-UHFFFAOYSA-M
MW288.12 g/mol
LogP-0.09
Rot. Bonds2

About gold(1+);3-hydroxypropane-1-thiolate

gold(1+);3-hydroxypropane-1-thiolate (PubChem CID 59980004) has the molecular formula C3H7AuOS and a molecular weight of 288.12 g/mol. Its IUPAC name is gold(1+);3-hydroxypropane-1-thiolate.

Molecular Properties

Compound Namegold(1+);3-hydroxypropane-1-thiolate
PubChem CID59980004
Molecular FormulaC3H7AuOS
Molecular Weight288.12 g/mol
Exact Mass287.99
IUPAC Namegold(1+);3-hydroxypropane-1-thiolate
SMILESOCCC[S-].[Au+]
InChIInChI=1S/C3H8OS.Au/c4-2-1-3-5;/h4-5H,1-3H2;/q;+1/p-1
InChIKeyDLAGPGOEBPNEKI-UHFFFAOYSA-M
XLogP-0.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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tricosane-1,23-diol
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CID 87338508
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azane;octakis(butane-1,4-diol)
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bis(2-hydroxyethanethiolate);oxotechnetium
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Frequently Asked Questions

What is the IUPAC name of gold(1+);3-hydroxypropane-1-thiolate?
The IUPAC name of gold(1+);3-hydroxypropane-1-thiolate (CID 59980004) is gold(1+);3-hydroxypropane-1-thiolate.
What is the SMILES notation for gold(1+);3-hydroxypropane-1-thiolate?
The canonical SMILES for gold(1+);3-hydroxypropane-1-thiolate is OCCC[S-].[Au+].
What is the InChIKey of gold(1+);3-hydroxypropane-1-thiolate?
The InChIKey is DLAGPGOEBPNEKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8OS.Au/c4-2-1-3-5;/h4-5H,1-3H2;/q;+1/p-1.
What are the key properties of gold(1+);3-hydroxypropane-1-thiolate?
gold(1+);3-hydroxypropane-1-thiolate has a molecular weight of 288.12 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);3-hydroxypropane-1-thiolate is sourced from PubChem (CID 59980004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).