5H-tetrazole-5-sulfinate

CHN4O2S- — CID 174379657

IUPAC5H-tetrazole-5-sulfinate
SMILESO=S([O-])C1N=NN=N1
InChIInChI=1S/CH2N4O2S/c6-8(7)1-2-4-5-3-1/h1H,(H,6,7)/p-1
InChIKeyKHAWTHCWAUIJHU-UHFFFAOYSA-M
MW133.11 g/mol
LogP-0.02
Rot. Bonds1

About 5H-tetrazole-5-sulfinate

5H-tetrazole-5-sulfinate (PubChem CID 174379657) has the molecular formula CHN4O2S- and a molecular weight of 133.11 g/mol. Its IUPAC name is 5H-tetrazole-5-sulfinate.

Molecular Properties

Compound Name5H-tetrazole-5-sulfinate
PubChem CID174379657
Molecular FormulaCHN4O2S-
Molecular Weight133.11 g/mol
Exact Mass132.98
IUPAC Name5H-tetrazole-5-sulfinate
SMILESO=S([O-])C1N=NN=N1
InChIInChI=1S/CH2N4O2S/c6-8(7)1-2-4-5-3-1/h1H,(H,6,7)/p-1
InChIKeyKHAWTHCWAUIJHU-UHFFFAOYSA-M
XLogP-0.02
TPSA89.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5H-tetrazole-5-sulfinate?
The IUPAC name of 5H-tetrazole-5-sulfinate (CID 174379657) is 5H-tetrazole-5-sulfinate.
What is the SMILES notation for 5H-tetrazole-5-sulfinate?
The canonical SMILES for 5H-tetrazole-5-sulfinate is O=S([O-])C1N=NN=N1.
What is the InChIKey of 5H-tetrazole-5-sulfinate?
The InChIKey is KHAWTHCWAUIJHU-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2N4O2S/c6-8(7)1-2-4-5-3-1/h1H,(H,6,7)/p-1.
What are the key properties of 5H-tetrazole-5-sulfinate?
5H-tetrazole-5-sulfinate has a molecular weight of 133.11 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-tetrazole-5-sulfinate is sourced from PubChem (CID 174379657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).