5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid

C10H9FN4O2S — CID 55173286

IUPAC5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
SMILESCn1nnnc1SCc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H9FN4O2S/c1-15-10(12-13-14-15)18-5-6-2-3-7(11)4-8(6)9(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyUURSWFNLTTTZSZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.34
Rot. Bonds4

About 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid

5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid (PubChem CID 55173286) has the molecular formula C10H9FN4O2S and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
PubChem CID55173286
Molecular FormulaC10H9FN4O2S
Molecular Weight268.27 g/mol
Exact Mass268.04
IUPAC Name5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
SMILESCn1nnnc1SCc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H9FN4O2S/c1-15-10(12-13-14-15)18-5-6-2-3-7(11)4-8(6)9(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyUURSWFNLTTTZSZ-UHFFFAOYSA-N
XLogP1.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid (CID 55173286) is 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid is Cn1nnnc1SCc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid?
The InChIKey is UURSWFNLTTTZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2S/c1-15-10(12-13-14-15)18-5-6-2-3-7(11)4-8(6)9(16)17/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid?
5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid is sourced from PubChem (CID 55173286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).