1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt

C4H7N5NaS — CID 86740678

IUPAC—
SMILESCC(C)=Nn1[nH]nnc1=S.[Na]
InChIInChI=1S/C4H7N5S.Na/c1-3(2)6-9-4(10)5-7-8-9;/h1-2H3,(H,5,8,10);
InChIKeyTVRFUCYQUPFPLW-UHFFFAOYSA-N
MW180.19 g/mol
LogP0.20
Rot. Bonds1

About 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt

1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt (PubChem CID 86740678) has the molecular formula C4H7N5NaS and a molecular weight of 180.19 g/mol.

Molecular Properties

Compound Name1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt
PubChem CID86740678
Molecular FormulaC4H7N5NaS
Molecular Weight180.19 g/mol
Exact Mass180.03
IUPAC Name—
SMILESCC(C)=Nn1[nH]nnc1=S.[Na]
InChIInChI=1S/C4H7N5S.Na/c1-3(2)6-9-4(10)5-7-8-9;/h1-2H3,(H,5,8,10);
InChIKeyTVRFUCYQUPFPLW-UHFFFAOYSA-N
XLogP0.20
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt?
The IUPAC name of 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt (CID 86740678) is not available.
What is the SMILES notation for 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt?
The canonical SMILES for 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt is CC(C)=Nn1[nH]nnc1=S.[Na].
What is the InChIKey of 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt?
The InChIKey is TVRFUCYQUPFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5S.Na/c1-3(2)6-9-4(10)5-7-8-9;/h1-2H3,(H,5,8,10);.
What are the key properties of 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt?
1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt has a molecular weight of 180.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Isopropylidenamino-5-mercapto-1H-tetrazole sodium salt is sourced from PubChem (CID 86740678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).