2-(5-methylsulfanyltetrazol-1-yl)acetic acid

C4H6N4O2S — CID 20670743

IUPAC2-(5-methylsulfanyltetrazol-1-yl)acetic acid
SMILESCSc1nnnn1CC(=O)O
InChIInChI=1S/C4H6N4O2S/c1-11-4-5-6-7-8(4)2-3(9)10/h2H2,1H3,(H,9,10)
InChIKeyOVURMMFIASHJIS-UHFFFAOYSA-N
MW174.19 g/mol
LogP-0.52
Rot. Bonds3

About 2-(5-methylsulfanyltetrazol-1-yl)acetic acid

2-(5-methylsulfanyltetrazol-1-yl)acetic acid (PubChem CID 20670743) has the molecular formula C4H6N4O2S and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-(5-methylsulfanyltetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methylsulfanyltetrazol-1-yl)acetic acid
PubChem CID20670743
Molecular FormulaC4H6N4O2S
Molecular Weight174.19 g/mol
Exact Mass174.02
IUPAC Name2-(5-methylsulfanyltetrazol-1-yl)acetic acid
SMILESCSc1nnnn1CC(=O)O
InChIInChI=1S/C4H6N4O2S/c1-11-4-5-6-7-8(4)2-3(9)10/h2H2,1H3,(H,9,10)
InChIKeyOVURMMFIASHJIS-UHFFFAOYSA-N
XLogP-0.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanyltetrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-methylsulfanyltetrazol-1-yl)acetic acid (CID 20670743) is 2-(5-methylsulfanyltetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-methylsulfanyltetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-methylsulfanyltetrazol-1-yl)acetic acid is CSc1nnnn1CC(=O)O.
What is the InChIKey of 2-(5-methylsulfanyltetrazol-1-yl)acetic acid?
The InChIKey is OVURMMFIASHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2S/c1-11-4-5-6-7-8(4)2-3(9)10/h2H2,1H3,(H,9,10).
What are the key properties of 2-(5-methylsulfanyltetrazol-1-yl)acetic acid?
2-(5-methylsulfanyltetrazol-1-yl)acetic acid has a molecular weight of 174.19 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanyltetrazol-1-yl)acetic acid is sourced from PubChem (CID 20670743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).