5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid

C6H10N4O2S — CID 88643472

IUPAC5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid
SMILESO=C(O)CCCC(S)n1cnnn1
InChIInChI=1S/C6H10N4O2S/c11-6(12)3-1-2-5(13)10-4-7-8-9-10/h4-5,13H,1-3H2,(H,11,12)
InChIKeyZHOFCJGRMCVNGU-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.36
Rot. Bonds5

About 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid

5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid (PubChem CID 88643472) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid
PubChem CID88643472
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid
SMILESO=C(O)CCCC(S)n1cnnn1
InChIInChI=1S/C6H10N4O2S/c11-6(12)3-1-2-5(13)10-4-7-8-9-10/h4-5,13H,1-3H2,(H,11,12)
InChIKeyZHOFCJGRMCVNGU-UHFFFAOYSA-N
XLogP0.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid?
The IUPAC name of 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid (CID 88643472) is 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid is O=C(O)CCCC(S)n1cnnn1.
What is the InChIKey of 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid?
The InChIKey is ZHOFCJGRMCVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c11-6(12)3-1-2-5(13)10-4-7-8-9-10/h4-5,13H,1-3H2,(H,11,12).
What are the key properties of 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid?
5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid has a molecular weight of 202.24 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-5-(tetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 88643472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).