2-(tetrazol-1-yl)benzenesulfinic acid

C7H6N4O2S — CID 175195559

IUPAC2-(tetrazol-1-yl)benzenesulfinic acid
SMILESO=S(O)c1ccccc1-n1cnnn1
InChIInChI=1S/C7H6N4O2S/c12-14(13)7-4-2-1-3-6(7)11-5-8-9-10-11/h1-5H,(H,12,13)
InChIKeyBXMWEJUYHOZWIT-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.24
Rot. Bonds2

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

2-(tetrazol-1-yl)benzenesulfinic acid (PubChem CID 175195559) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)benzenesulfinic acid.

Molecular Properties

Compound Name2-(tetrazol-1-yl)benzenesulfinic acid
PubChem CID175195559
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name2-(tetrazol-1-yl)benzenesulfinic acid
SMILESO=S(O)c1ccccc1-n1cnnn1
InChIInChI=1S/C7H6N4O2S/c12-14(13)7-4-2-1-3-6(7)11-5-8-9-10-11/h1-5H,(H,12,13)
InChIKeyBXMWEJUYHOZWIT-UHFFFAOYSA-N
XLogP0.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)tetrazole;hydrochloride
CID 174468330
3-(tetrazol-1-yl)benzenesulfinic acid
CID 114287193
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
2-[2-(tetrazol-1-yl)phenyl]ethanol
CID 70103004
1-(2-methylsulfanylphenyl)tetrazole
CID 12777466
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 61061859

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)benzenesulfinic acid?
The IUPAC name of 2-(tetrazol-1-yl)benzenesulfinic acid (CID 175195559) is 2-(tetrazol-1-yl)benzenesulfinic acid.
What is the SMILES notation for 2-(tetrazol-1-yl)benzenesulfinic acid?
The canonical SMILES for 2-(tetrazol-1-yl)benzenesulfinic acid is O=S(O)c1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)benzenesulfinic acid?
The InChIKey is BXMWEJUYHOZWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c12-14(13)7-4-2-1-3-6(7)11-5-8-9-10-11/h1-5H,(H,12,13).
What are the key properties of 2-(tetrazol-1-yl)benzenesulfinic acid?
2-(tetrazol-1-yl)benzenesulfinic acid has a molecular weight of 210.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)benzenesulfinic acid is sourced from PubChem (CID 175195559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).