2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid

C7H4Cl2N4O2S — CID 107967053

IUPAC2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C7H4Cl2N4O2S/c8-4-1-3(6(9)16-4)7-10-11-12-13(7)2-5(14)15/h1H,2H2,(H,14,15)
InChIKeyDRXXITPGTGJMBS-UHFFFAOYSA-N
MW279.11 g/mol
LogP1.79
Rot. Bonds3

About 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid

2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 107967053) has the molecular formula C7H4Cl2N4O2S and a molecular weight of 279.11 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid
PubChem CID107967053
Molecular FormulaC7H4Cl2N4O2S
Molecular Weight279.11 g/mol
Exact Mass277.94
IUPAC Name2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C7H4Cl2N4O2S/c8-4-1-3(6(9)16-4)7-10-11-12-13(7)2-5(14)15/h1H,2H2,(H,14,15)
InChIKeyDRXXITPGTGJMBS-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid (CID 107967053) is 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is DRXXITPGTGJMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N4O2S/c8-4-1-3(6(9)16-4)7-10-11-12-13(7)2-5(14)15/h1H,2H2,(H,14,15).
What are the key properties of 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 279.11 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 107967053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).