1-Phenyltetrazol-5-thiol sodium salt

C7H6N4NaS — CID 67399154

IUPAC—
SMILESS=c1nn[nH]n1-c1ccccc1.[Na]
InChIInChI=1S/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);
InChIKeyIRSCLWYPLNPCQX-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.94
Rot. Bonds1

About 1-Phenyltetrazol-5-thiol sodium salt

1-Phenyltetrazol-5-thiol sodium salt (PubChem CID 67399154) has the molecular formula C7H6N4NaS and a molecular weight of 201.21 g/mol.

Molecular Properties

Compound Name1-Phenyltetrazol-5-thiol sodium salt
PubChem CID67399154
Molecular FormulaC7H6N4NaS
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name—
SMILESS=c1nn[nH]n1-c1ccccc1.[Na]
InChIInChI=1S/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);
InChIKeyIRSCLWYPLNPCQX-UHFFFAOYSA-N
XLogP0.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-Phenyltetrazol-5-thiol sodium salt?
The IUPAC name of 1-Phenyltetrazol-5-thiol sodium salt (CID 67399154) is not available.
What is the SMILES notation for 1-Phenyltetrazol-5-thiol sodium salt?
The canonical SMILES for 1-Phenyltetrazol-5-thiol sodium salt is S=c1nn[nH]n1-c1ccccc1.[Na].
What is the InChIKey of 1-Phenyltetrazol-5-thiol sodium salt?
The InChIKey is IRSCLWYPLNPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);.
What are the key properties of 1-Phenyltetrazol-5-thiol sodium salt?
1-Phenyltetrazol-5-thiol sodium salt has a molecular weight of 201.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenyltetrazol-5-thiol sodium salt is sourced from PubChem (CID 67399154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).