3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one

C12H12N4O2S — CID 2998282

IUPAC3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESCc1ccccc1-n1nnnc1SC1CCOC1=O
InChIInChI=1S/C12H12N4O2S/c1-8-4-2-3-5-9(8)16-12(13-14-15-16)19-10-6-7-18-11(10)17/h2-5,10H,6-7H2,1H3
InChIKeyFOIIDIFBJQYKPQ-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.38
Rot. Bonds3

About 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one

3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one (PubChem CID 2998282) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
PubChem CID2998282
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESCc1ccccc1-n1nnnc1SC1CCOC1=O
InChIInChI=1S/C12H12N4O2S/c1-8-4-2-3-5-9(8)16-12(13-14-15-16)19-10-6-7-18-11(10)17/h2-5,10H,6-7H2,1H3
InChIKeyFOIIDIFBJQYKPQ-UHFFFAOYSA-N
XLogP1.38
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl {[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetate
CID 1260000
3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
CID 2948751
3-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 2967209
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
CID 793874
2-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388289
Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 736914
methyl {[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetate
CID 1249414
Ethyl 2-[1-(2-fluorophenyl)-1,2,3,4-tetraazol-5-ylthio]acetate
CID 675545
Methyl 2-[1-(4-fluorophenyl)-1,2,3,4-tetraazol-5-ylthio]acetate
CID 713656
N,N-dimethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 17398228
Ethyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 79357235
methyl 2-((1-(p-tolyl)-1H-tetrazol-5-yl)thio)acetate
CID 943205

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The IUPAC name of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one (CID 2998282) is 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one.
What is the SMILES notation for 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The canonical SMILES for 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one is Cc1ccccc1-n1nnnc1SC1CCOC1=O.
What is the InChIKey of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The InChIKey is FOIIDIFBJQYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8-4-2-3-5-9(8)16-12(13-14-15-16)19-10-6-7-18-11(10)17/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one has a molecular weight of 276.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one is sourced from PubChem (CID 2998282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).