2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid

C10H8F2N4O2S2 — CID 29070421

IUPAC2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1-c1ccccc1SC(F)F
InChIInChI=1S/C10H8F2N4O2S2/c11-9(12)20-7-4-2-1-3-6(7)16-10(13-14-15-16)19-5-8(17)18/h1-4,9H,5H2,(H,17,18)
InChIKeyMBBPWSQXGJCCHV-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.15
Rot. Bonds6

About 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid

2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 29070421) has the molecular formula C10H8F2N4O2S2 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID29070421
Molecular FormulaC10H8F2N4O2S2
Molecular Weight318.33 g/mol
Exact Mass318.01
IUPAC Name2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1-c1ccccc1SC(F)F
InChIInChI=1S/C10H8F2N4O2S2/c11-9(12)20-7-4-2-1-3-6(7)16-10(13-14-15-16)19-5-8(17)18/h1-4,9H,5H2,(H,17,18)
InChIKeyMBBPWSQXGJCCHV-UHFFFAOYSA-N
XLogP2.15
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 61075946
N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26644104
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]sulfanylacetic acid
CID 55150309
2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070233
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 1244330
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid (CID 29070421) is 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1-c1ccccc1SC(F)F.
What is the InChIKey of 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is MBBPWSQXGJCCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O2S2/c11-9(12)20-7-4-2-1-3-6(7)16-10(13-14-15-16)19-5-8(17)18/h1-4,9H,5H2,(H,17,18).
What are the key properties of 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 318.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 29070421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).