2-(tetrazol-1-yl)ethanesulfinic acid

C3H6N4O2S — CID 165455417

IUPAC2-(tetrazol-1-yl)ethanesulfinic acid
SMILESO=S(O)CCn1cnnn1
InChIInChI=1S/C3H6N4O2S/c8-10(9)2-1-7-3-4-5-6-7/h3H,1-2H2,(H,8,9)
InChIKeyYGDUTHMBFZSJNC-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.11
Rot. Bonds3

About 2-(tetrazol-1-yl)ethanesulfinic acid

2-(tetrazol-1-yl)ethanesulfinic acid (PubChem CID 165455417) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethanesulfinic acid.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethanesulfinic acid
PubChem CID165455417
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name2-(tetrazol-1-yl)ethanesulfinic acid
SMILESO=S(O)CCn1cnnn1
InChIInChI=1S/C3H6N4O2S/c8-10(9)2-1-7-3-4-5-6-7/h3H,1-2H2,(H,8,9)
InChIKeyYGDUTHMBFZSJNC-UHFFFAOYSA-N
XLogP-1.11
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(tetrazol-1-yl)ethanesulfinic acid?
The IUPAC name of 2-(tetrazol-1-yl)ethanesulfinic acid (CID 165455417) is 2-(tetrazol-1-yl)ethanesulfinic acid.
What is the SMILES notation for 2-(tetrazol-1-yl)ethanesulfinic acid?
The canonical SMILES for 2-(tetrazol-1-yl)ethanesulfinic acid is O=S(O)CCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethanesulfinic acid?
The InChIKey is YGDUTHMBFZSJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c8-10(9)2-1-7-3-4-5-6-7/h3H,1-2H2,(H,8,9).
What are the key properties of 2-(tetrazol-1-yl)ethanesulfinic acid?
2-(tetrazol-1-yl)ethanesulfinic acid has a molecular weight of 162.17 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)ethanesulfinic acid is sourced from PubChem (CID 165455417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).