2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid

C9H6F2N4O2S — CID 61075946

IUPAC2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C9H6F2N4O2S/c10-5-2-1-3-6(8(5)11)15-9(12-13-14-15)18-4-7(16)17/h1-3H,4H2,(H,16,17)
InChIKeyUZGJFVVUKBHAFV-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.12
Rot. Bonds4

About 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 61075946) has the molecular formula C9H6F2N4O2S and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID61075946
Molecular FormulaC9H6F2N4O2S
Molecular Weight272.24 g/mol
Exact Mass272.02
IUPAC Name2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1-c1cccc(F)c1F
InChIInChI=1S/C9H6F2N4O2S/c10-5-2-1-3-6(8(5)11)15-9(12-13-14-15)18-4-7(16)17/h1-3H,4H2,(H,16,17)
InChIKeyUZGJFVVUKBHAFV-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070421
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070233
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686311
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2-fluorophenyl)ethanone
CID 7660845
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 107463985
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2610379

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid (CID 61075946) is 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1-c1cccc(F)c1F.
What is the InChIKey of 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is UZGJFVVUKBHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4O2S/c10-5-2-1-3-6(8(5)11)15-9(12-13-14-15)18-4-7(16)17/h1-3H,4H2,(H,16,17).
What are the key properties of 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 272.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 61075946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).