2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid

C10H10N4O3S — CID 15007339

IUPAC2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid
SMILESCS(=O)c1ccc(-c2nnnn2CC(=O)O)cc1
InChIInChI=1S/C10H10N4O3S/c1-18(17)8-4-2-7(3-5-8)10-11-12-13-14(10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyBTXBNFLRICGKIL-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.16
Rot. Bonds4

About 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid

2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid (PubChem CID 15007339) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid
PubChem CID15007339
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid
SMILESCS(=O)c1ccc(-c2nnnn2CC(=O)O)cc1
InChIInChI=1S/C10H10N4O3S/c1-18(17)8-4-2-7(3-5-8)10-11-12-13-14(10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyBTXBNFLRICGKIL-UHFFFAOYSA-N
XLogP0.16
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid (CID 15007339) is 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid is CS(=O)c1ccc(-c2nnnn2CC(=O)O)cc1.
What is the InChIKey of 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid?
The InChIKey is BTXBNFLRICGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-18(17)8-4-2-7(3-5-8)10-11-12-13-14(10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid?
2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfinylphenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 15007339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).