3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole

C19H20N2OS2 — CID 71290572

IUPAC3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole
SMILESCCCCc1ccc(-c2nsc(S(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N2OS2/c1-3-4-5-15-8-10-16(11-9-15)18-20-19(23-21-18)24(22)17-12-6-14(2)7-13-17/h6-13H,3-5H2,1-2H3
InChIKeyYMZQSTICNSOALC-UHFFFAOYSA-N
MW356.52 g/mol
LogP5.02
Rot. Bonds6

About 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole

3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole (PubChem CID 71290572) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole
PubChem CID71290572
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole
SMILESCCCCc1ccc(-c2nsc(S(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N2OS2/c1-3-4-5-15-8-10-16(11-9-15)18-20-19(23-21-18)24(22)17-12-6-14(2)7-13-17/h6-13H,3-5H2,1-2H3
InChIKeyYMZQSTICNSOALC-UHFFFAOYSA-N
XLogP5.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-(4-butylphenyl)sulfinylbenzene
CID 67534352
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
5-(4-methylphenyl)sulfinyl-3-[4-(1-tricyclo[5.3.1.03,9]undecanyl)phenyl]-1,2,4-thiadiazole
CID 71290693
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-butyl-4-methylbenzene;formic acid
CID 177221373
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-octylbenzene
CID 11052746
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58371157

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole?
The IUPAC name of 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole (CID 71290572) is 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole is CCCCc1ccc(-c2nsc(S(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole?
The InChIKey is YMZQSTICNSOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-3-4-5-15-8-10-16(11-9-15)18-20-19(23-21-18)24(22)17-12-6-14(2)7-13-17/h6-13H,3-5H2,1-2H3.
What are the key properties of 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole?
3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole has a molecular weight of 356.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-5-(4-methylphenyl)sulfinyl-1,2,4-thiadiazole is sourced from PubChem (CID 71290572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).