4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione

C10H10N2OS — CID 88910936

IUPAC4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione
SMILESCc1cccc(-c2noc(=S)n2C)c1
InChIInChI=1S/C10H10N2OS/c1-7-4-3-5-8(6-7)9-11-13-10(14)12(9)2/h3-6H,1-2H3
InChIKeySQKCQSWCBSETOL-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.72
Rot. Bonds1

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

4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione (PubChem CID 88910936) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione.

Molecular Properties

Compound Name4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione
PubChem CID88910936
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione
SMILESCc1cccc(-c2noc(=S)n2C)c1
InChIInChI=1S/C10H10N2OS/c1-7-4-3-5-8(6-7)9-11-13-10(14)12(9)2/h3-6H,1-2H3
InChIKeySQKCQSWCBSETOL-UHFFFAOYSA-N
XLogP2.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 88910937
1-methyl-2-(3-methylphenyl)imidazole-4,5-diol
CID 70622359
3-(3-aminophenyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 115018388
methane;5-methyl-3-(3-methylphenyl)-1,2-oxazole
CID 161177844
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
formic acid;3-methyl-5-(3-methylphenyl)-1,2-oxazole
CID 176993673
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
1,3,7-trimethyl-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 136531169
5-(3-methylphenyl)-2,3-dihydro-1H-tetrazole
CID 126536455

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione?
The IUPAC name of 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione (CID 88910936) is 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione.
What is the SMILES notation for 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione?
The canonical SMILES for 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione is Cc1cccc(-c2noc(=S)n2C)c1.
What is the InChIKey of 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione?
The InChIKey is SQKCQSWCBSETOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-4-3-5-8(6-7)9-11-13-10(14)12(9)2/h3-6H,1-2H3.
What are the key properties of 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione?
4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione has a molecular weight of 206.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione is sourced from PubChem (CID 88910936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).