silver 3-(1,2,4-triazol-1-yl)benzenethiol

C8H7AgN3S+ — CID 23324543

IUPACsilver 3-(1,2,4-triazol-1-yl)benzenethiol
SMILESSc1cccc(-n2cncn2)c1.[Ag+]
InChIInChI=1S/C8H7N3S.Ag/c12-8-3-1-2-7(4-8)11-6-9-5-10-11;/h1-6,12H;/q;+1
InChIKeyOARYDOWLYPJKLL-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.55
Rot. Bonds1

About silver 3-(1,2,4-triazol-1-yl)benzenethiol

silver 3-(1,2,4-triazol-1-yl)benzenethiol (PubChem CID 23324543) has the molecular formula C8H7AgN3S+ and a molecular weight of 285.10 g/mol. Its IUPAC name is silver 3-(1,2,4-triazol-1-yl)benzenethiol.

Molecular Properties

Compound Namesilver 3-(1,2,4-triazol-1-yl)benzenethiol
PubChem CID23324543
Molecular FormulaC8H7AgN3S+
Molecular Weight285.10 g/mol
Exact Mass283.94
IUPAC Namesilver 3-(1,2,4-triazol-1-yl)benzenethiol
SMILESSc1cccc(-n2cncn2)c1.[Ag+]
InChIInChI=1S/C8H7N3S.Ag/c12-8-3-1-2-7(4-8)11-6-9-5-10-11;/h1-6,12H;/q;+1
InChIKeyOARYDOWLYPJKLL-UHFFFAOYSA-N
XLogP1.55
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
CID 132570303
2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291048
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
1-[3-(1,2,4-triazol-1-yl)phenyl]cyclopentan-1-amine
CID 117329120
[3-(1,2,4-triazol-1-yl)phenyl] 3,4-difluorobenzenesulfonate
CID 56806439
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63943267
N-[(1R)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]ethanesulfonamide
CID 95971403

Frequently Asked Questions

What is the IUPAC name of silver 3-(1,2,4-triazol-1-yl)benzenethiol?
The IUPAC name of silver 3-(1,2,4-triazol-1-yl)benzenethiol (CID 23324543) is silver 3-(1,2,4-triazol-1-yl)benzenethiol.
What is the SMILES notation for silver 3-(1,2,4-triazol-1-yl)benzenethiol?
The canonical SMILES for silver 3-(1,2,4-triazol-1-yl)benzenethiol is Sc1cccc(-n2cncn2)c1.[Ag+].
What is the InChIKey of silver 3-(1,2,4-triazol-1-yl)benzenethiol?
The InChIKey is OARYDOWLYPJKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S.Ag/c12-8-3-1-2-7(4-8)11-6-9-5-10-11;/h1-6,12H;/q;+1.
What are the key properties of silver 3-(1,2,4-triazol-1-yl)benzenethiol?
silver 3-(1,2,4-triazol-1-yl)benzenethiol has a molecular weight of 285.10 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-(1,2,4-triazol-1-yl)benzenethiol is sourced from PubChem (CID 23324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).