3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole

C9H8N2O2S — CID 5325357

IUPAC3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1S(=O)c1ccccc1
InChIInChI=1S/C9H8N2O2S/c1-7-9(11-13-10-7)14(12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyJLWFAYAKNPKPKH-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.54
Rot. Bonds2

About 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole

3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole (PubChem CID 5325357) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole
PubChem CID5325357
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1S(=O)c1ccccc1
InChIInChI=1S/C9H8N2O2S/c1-7-9(11-13-10-7)14(12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyJLWFAYAKNPKPKH-UHFFFAOYSA-N
XLogP1.54
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzenesulfinylbenzene;trichloro(methyl)silane
CID 68863151
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
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3,5-dimethyl-1-phenyl-4-[(S)-phenylsulfinyl]pyrazole
CID 11860311
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
4,10-bis(benzenesulfinyl)-1,5,6,7,11,12-hexazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
CID 11560588
1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956
1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one
CID 116621162
4-(benzenesulfinyl)-2,6-dichloropyridine
CID 118642020
4-(benzenesulfinyl)-2-methyl-1-phenylbenzene
CID 130194344
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
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CID 90983368

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole (CID 5325357) is 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole is Cc1nonc1S(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole?
The InChIKey is JLWFAYAKNPKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-7-9(11-13-10-7)14(12)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole?
3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole has a molecular weight of 208.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 5325357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).