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

C4H9N5NaS — CID 70453636

IUPAC—
SMILESCC(C)Nn1[nH]nnc1=S.[Na]
InChIInChI=1S/C4H9N5S.Na/c1-3(2)6-9-4(10)5-7-8-9;/h3,6H,1-2H3,(H,5,8,10);
InChIKeyHWBDMKGSFDTZGR-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.09
Rot. Bonds2

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

1-isopropylamino-5-mercapto-1H-tetrazole sodium salt (PubChem CID 70453636) has the molecular formula C4H9N5NaS and a molecular weight of 182.21 g/mol.

Molecular Properties

Compound Name1-isopropylamino-5-mercapto-1H-tetrazole sodium salt
PubChem CID70453636
Molecular FormulaC4H9N5NaS
Molecular Weight182.21 g/mol
Exact Mass182.05
IUPAC Name—
SMILESCC(C)Nn1[nH]nnc1=S.[Na]
InChIInChI=1S/C4H9N5S.Na/c1-3(2)6-9-4(10)5-7-8-9;/h3,6H,1-2H3,(H,5,8,10);
InChIKeyHWBDMKGSFDTZGR-UHFFFAOYSA-N
XLogP-0.09
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-isopropylamino-5-mercapto-1H-tetrazole sodium salt?
The IUPAC name of 1-isopropylamino-5-mercapto-1H-tetrazole sodium salt (CID 70453636) is not available.
What is the SMILES notation for 1-isopropylamino-5-mercapto-1H-tetrazole sodium salt?
The canonical SMILES for 1-isopropylamino-5-mercapto-1H-tetrazole sodium salt is CC(C)Nn1[nH]nnc1=S.[Na].
What is the InChIKey of 1-isopropylamino-5-mercapto-1H-tetrazole sodium salt?
The InChIKey is HWBDMKGSFDTZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S.Na/c1-3(2)6-9-4(10)5-7-8-9;/h3,6H,1-2H3,(H,5,8,10);.
What are the key properties of 1-isopropylamino-5-mercapto-1H-tetrazole sodium salt?
1-isopropylamino-5-mercapto-1H-tetrazole sodium salt has a molecular weight of 182.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isopropylamino-5-mercapto-1H-tetrazole sodium salt is sourced from PubChem (CID 70453636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).