3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide

C14H12N2OS2 — CID 142771213

IUPAC3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide
SMILESCc1ccccc1N1N=C(c2ccccc2)SS1=O
InChIInChI=1S/C14H12N2OS2/c1-11-7-5-6-10-13(11)16-15-14(18-19(16)17)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyIOYWRIBJYLTACI-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.49
Rot. Bonds2

About 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide

3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide (PubChem CID 142771213) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide
PubChem CID142771213
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide
SMILESCc1ccccc1N1N=C(c2ccccc2)SS1=O
InChIInChI=1S/C14H12N2OS2/c1-11-7-5-6-10-13(11)16-15-14(18-19(16)17)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyIOYWRIBJYLTACI-UHFFFAOYSA-N
XLogP3.49
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-Difluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771211
2-(5-Phenyl-1,3,4-thiadiazol-2-yl)aniline
CID 13107855
3-(4-Nitrophenyl)-5-phenyl-3h-1,2,3,4-dithiadiazole-2-oxide
CID 142771216
3-(4-Fluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771212
3,5-Diphenyldithiadiazole 2-oxide
CID 142771214
2-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]aniline
CID 13107858
2,2'-(1,3,4-Thiadiazole-2,5-diyl)dianiline
CID 13107859
3,5-Diphenyltriazaphosphole
CID 14000517
3,5-Diphenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912483
3-(3,5-Dichlorophenyl)-5-phenyldithiadiazole 2-oxide
CID 171919652
2-(5-(Methylthio)-1,3,4-thiadiazol-2-yl)aniline
CID 58148418
2-(2-Nitrosophenyl)-5-phenyl-1,3,4-thiadiazole
CID 58148625

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide?
The IUPAC name of 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide (CID 142771213) is 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide.
What is the SMILES notation for 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide?
The canonical SMILES for 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide is Cc1ccccc1N1N=C(c2ccccc2)SS1=O.
What is the InChIKey of 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide?
The InChIKey is IOYWRIBJYLTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-11-7-5-6-10-13(11)16-15-14(18-19(16)17)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide?
3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide has a molecular weight of 288.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-phenyldithiadiazole 2-oxide is sourced from PubChem (CID 142771213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).