silver 2,6-dimethylbenzenethiolate

C8H9AgS — CID 101015873

IUPACsilver 2,6-dimethylbenzenethiolate
SMILESCc1cccc(C)c1[S-].[Ag+]
InChIInChI=1S/C8H10S.Ag/c1-6-4-3-5-7(2)8(6)9;/h3-5,9H,1-2H3;/q;+1/p-1
InChIKeyBPHNVJPJNFLFMM-UHFFFAOYSA-M
MW245.09 g/mol
LogP2.21
Rot. Bonds

About silver 2,6-dimethylbenzenethiolate

silver 2,6-dimethylbenzenethiolate (PubChem CID 101015873) has the molecular formula C8H9AgS and a molecular weight of 245.09 g/mol. Its IUPAC name is silver 2,6-dimethylbenzenethiolate.

Molecular Properties

Compound Namesilver 2,6-dimethylbenzenethiolate
PubChem CID101015873
Molecular FormulaC8H9AgS
Molecular Weight245.09 g/mol
Exact Mass243.95
IUPAC Namesilver 2,6-dimethylbenzenethiolate
SMILESCc1cccc(C)c1[S-].[Ag+]
InChIInChI=1S/C8H10S.Ag/c1-6-4-3-5-7(2)8(6)9;/h3-5,9H,1-2H3;/q;+1/p-1
InChIKeyBPHNVJPJNFLFMM-UHFFFAOYSA-M
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze silver 2,6-dimethylbenzenethiolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90471180
CID 90471180
1,2,4,5-tetrakis(2,6-dimethylphenyl)-3,6-dimethylbenzene
CID 176589323
1,2-xylene
CID 173422016
1,5-dimethylnaphthalene
CID 162159355
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
2,6-dimethylbenzaldehyde
CID 159545887
azane;1,2-xylene
CID 174280305
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691

Frequently Asked Questions

What is the IUPAC name of silver 2,6-dimethylbenzenethiolate?
The IUPAC name of silver 2,6-dimethylbenzenethiolate (CID 101015873) is silver 2,6-dimethylbenzenethiolate.
What is the SMILES notation for silver 2,6-dimethylbenzenethiolate?
The canonical SMILES for silver 2,6-dimethylbenzenethiolate is Cc1cccc(C)c1[S-].[Ag+].
What is the InChIKey of silver 2,6-dimethylbenzenethiolate?
The InChIKey is BPHNVJPJNFLFMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10S.Ag/c1-6-4-3-5-7(2)8(6)9;/h3-5,9H,1-2H3;/q;+1/p-1.
What are the key properties of silver 2,6-dimethylbenzenethiolate?
silver 2,6-dimethylbenzenethiolate has a molecular weight of 245.09 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2,6-dimethylbenzenethiolate is sourced from PubChem (CID 101015873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).