4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid

C6H10N4O2S — CID 6484160

IUPAC4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid
SMILESCSCCC(C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2S/c1-13-3-2-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyAZCSQHICDPMUDA-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.05
Rot. Bonds5

About 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid

4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid (PubChem CID 6484160) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid
PubChem CID6484160
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid
SMILESCSCCC(C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2S/c1-13-3-2-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyAZCSQHICDPMUDA-UHFFFAOYSA-N
XLogP0.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid?
The IUPAC name of 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid (CID 6484160) is 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid is CSCCC(C(=O)O)n1cnnn1.
What is the InChIKey of 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid?
The InChIKey is AZCSQHICDPMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-13-3-2-5(6(11)12)10-4-7-8-9-10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid?
4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid has a molecular weight of 202.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 6484160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).