5-sulfanylidene-2H-tetrazole-1-sulfinate

CHN4O2S2- — CID 57120308

IUPAC5-sulfanylidene-2H-tetrazole-1-sulfinate
SMILESO=S([O-])n1[nH]nnc1=S
InChIInChI=1S/CH2N4O2S2/c6-9(7)5-1(8)2-3-4-5/h(H,6,7)(H,2,4,8)/p-1
InChIKeyJGFALQNLJAOIPJ-UHFFFAOYSA-M
MW165.18 g/mol
LogP-1.02
Rot. Bonds1

About 5-sulfanylidene-2H-tetrazole-1-sulfinate

5-sulfanylidene-2H-tetrazole-1-sulfinate (PubChem CID 57120308) has the molecular formula CHN4O2S2- and a molecular weight of 165.18 g/mol. Its IUPAC name is 5-sulfanylidene-2H-tetrazole-1-sulfinate.

Molecular Properties

Compound Name5-sulfanylidene-2H-tetrazole-1-sulfinate
PubChem CID57120308
Molecular FormulaCHN4O2S2-
Molecular Weight165.18 g/mol
Exact Mass164.95
IUPAC Name5-sulfanylidene-2H-tetrazole-1-sulfinate
SMILESO=S([O-])n1[nH]nnc1=S
InChIInChI=1S/CH2N4O2S2/c6-9(7)5-1(8)2-3-4-5/h(H,6,7)(H,2,4,8)/p-1
InChIKeyJGFALQNLJAOIPJ-UHFFFAOYSA-M
XLogP-1.02
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanylidene-2H-tetrazole-1-sulfinate?
The IUPAC name of 5-sulfanylidene-2H-tetrazole-1-sulfinate (CID 57120308) is 5-sulfanylidene-2H-tetrazole-1-sulfinate.
What is the SMILES notation for 5-sulfanylidene-2H-tetrazole-1-sulfinate?
The canonical SMILES for 5-sulfanylidene-2H-tetrazole-1-sulfinate is O=S([O-])n1[nH]nnc1=S.
What is the InChIKey of 5-sulfanylidene-2H-tetrazole-1-sulfinate?
The InChIKey is JGFALQNLJAOIPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2N4O2S2/c6-9(7)5-1(8)2-3-4-5/h(H,6,7)(H,2,4,8)/p-1.
What are the key properties of 5-sulfanylidene-2H-tetrazole-1-sulfinate?
5-sulfanylidene-2H-tetrazole-1-sulfinate has a molecular weight of 165.18 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylidene-2H-tetrazole-1-sulfinate is sourced from PubChem (CID 57120308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).