gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate

C5H9AuN3S — CID 87394292

IUPACgold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate
SMILESCc1n(C)nc([S-])[n+]1C.[Au]
InChIInChI=1S/C5H9N3S.Au/c1-4-7(2)5(9)6-8(4)3;/h1-3H3;
InChIKeyPZWPFQDOGGBRES-UHFFFAOYSA-N
MW340.18 g/mol
LogP-0.54
Rot. Bonds

About gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate

gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate (PubChem CID 87394292) has the molecular formula C5H9AuN3S and a molecular weight of 340.18 g/mol. Its IUPAC name is gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate.

Molecular Properties

Compound Namegold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate
PubChem CID87394292
Molecular FormulaC5H9AuN3S
Molecular Weight340.18 g/mol
Exact Mass340.02
IUPAC Namegold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate
SMILESCc1n(C)nc([S-])[n+]1C.[Au]
InChIInChI=1S/C5H9N3S.Au/c1-4-7(2)5(9)6-8(4)3;/h1-3H3;
InChIKeyPZWPFQDOGGBRES-UHFFFAOYSA-N
XLogP-0.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
1,3,4-Trimethyl-1,2,4-triazol-4-ium
CID 11796926
1-Ethyl-3,5-dimethyl-1H-1,2,4-triazole
CID 13010288
1,4-Dimethyl-5-(trifluoromethyl)-1,2,4-triazol-4-ium-3-thiolate
CID 58997891
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-4-ium-3-thiolate
CID 58997903
1,4,5-Trimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 13398471
4-Ethyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 14849501
1,5-Dimethyl-4-propan-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 21917670
1-Ethyl-3,4-dimethyl-1,2,4-triazol-4-ium
CID 134850922
5-Azido-1,3-dimethyl-1,2,4-triazole
CID 129984642
3-Chloro-1,4,5-trimethyl-1,2,4-triazol-4-ium iodide
CID 132891317
3,4-Dimethyl-5-methylsulfanyl-1,2,4-triazole
CID 3228180

Frequently Asked Questions

What is the IUPAC name of gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate?
The IUPAC name of gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate (CID 87394292) is gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate.
What is the SMILES notation for gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate?
The canonical SMILES for gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate is Cc1n(C)nc([S-])[n+]1C.[Au].
What is the InChIKey of gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate?
The InChIKey is PZWPFQDOGGBRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.Au/c1-4-7(2)5(9)6-8(4)3;/h1-3H3;.
What are the key properties of gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate?
gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate has a molecular weight of 340.18 g/mol, XLogP of -0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold;1,4,5-trimethyl-1,2,4-triazol-4-ium-3-thiolate is sourced from PubChem (CID 87394292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).