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

C10H10N2OS — CID 88910937

IUPAC3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione
SMILESCc1cccc(-c2nn(C)c(=S)o2)c1
InChIInChI=1S/C10H10N2OS/c1-7-4-3-5-8(6-7)9-11-12(2)10(14)13-9/h3-6H,1-2H3
InChIKeyJLGGRPPGDKHXQN-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.72
Rot. Bonds1

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

3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione (PubChem CID 88910937) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione
PubChem CID88910937
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione
SMILESCc1cccc(-c2nn(C)c(=S)o2)c1
InChIInChI=1S/C10H10N2OS/c1-7-4-3-5-8(6-7)9-11-12(2)10(14)13-9/h3-6H,1-2H3
InChIKeyJLGGRPPGDKHXQN-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-phenyl-1,3,4-oxadiazole-2-thione
CID 15039180
4-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-thione
CID 88910936
4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
CID 83739505
3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 84707601
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
2-methyl-7-(3-methylphenyl)indazole-3-carboxylic acid
CID 68614458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione?
The IUPAC name of 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione (CID 88910937) is 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione is Cc1cccc(-c2nn(C)c(=S)o2)c1.
What is the InChIKey of 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione?
The InChIKey is JLGGRPPGDKHXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-4-3-5-8(6-7)9-11-12(2)10(14)13-9/h3-6H,1-2H3.
What are the key properties of 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione?
3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-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 3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 88910937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).