azanium 1-phenyltetrazole-5-thiolate

C7H9N5S — CID 15902281

IUPACazanium 1-phenyltetrazole-5-thiolate
SMILES[NH4+].[S-]c1nnnn1-c1ccccc1
InChIInChI=1S/C7H6N4S.H3N/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);1H3
InChIKeyZIQQKRWFFATASR-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.94
Rot. Bonds1

About azanium 1-phenyltetrazole-5-thiolate

azanium 1-phenyltetrazole-5-thiolate (PubChem CID 15902281) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is azanium 1-phenyltetrazole-5-thiolate.

Molecular Properties

Compound Nameazanium 1-phenyltetrazole-5-thiolate
PubChem CID15902281
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Nameazanium 1-phenyltetrazole-5-thiolate
SMILES[NH4+].[S-]c1nnnn1-c1ccccc1
InChIInChI=1S/C7H6N4S.H3N/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);1H3
InChIKeyZIQQKRWFFATASR-UHFFFAOYSA-N
XLogP0.94
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 101040268
CID 101040268
1-phenyltetrazole-5-thiolate;piperidin-1-ium
CID 18526595
1-phenyltetrazole-5-selenol
CID 173399228
5-ethenyl-1-phenyltetrazole
CID 12753529
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-phenyltetrazole-5-carbonitrile
CID 12718731
5-(2-methylimidazol-1-yl)-1-phenyltetrazole
CID 55239596

Frequently Asked Questions

What is the IUPAC name of azanium 1-phenyltetrazole-5-thiolate?
The IUPAC name of azanium 1-phenyltetrazole-5-thiolate (CID 15902281) is azanium 1-phenyltetrazole-5-thiolate.
What is the SMILES notation for azanium 1-phenyltetrazole-5-thiolate?
The canonical SMILES for azanium 1-phenyltetrazole-5-thiolate is [NH4+].[S-]c1nnnn1-c1ccccc1.
What is the InChIKey of azanium 1-phenyltetrazole-5-thiolate?
The InChIKey is ZIQQKRWFFATASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.H3N/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);1H3.
What are the key properties of azanium 1-phenyltetrazole-5-thiolate?
azanium 1-phenyltetrazole-5-thiolate has a molecular weight of 195.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1-phenyltetrazole-5-thiolate is sourced from PubChem (CID 15902281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).