1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole

C17H18N4S — CID 7352304

IUPAC1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1cccc(CSc2nnnn2-c2ccc(C)cc2C)c1
InChIInChI=1S/C17H18N4S/c1-12-5-4-6-15(10-12)11-22-17-18-19-20-21(17)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3
InChIKeyYHYWRZRTGVTXKY-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.88
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole

1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole (PubChem CID 7352304) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
PubChem CID7352304
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1cccc(CSc2nnnn2-c2ccc(C)cc2C)c1
InChIInChI=1S/C17H18N4S/c1-12-5-4-6-15(10-12)11-22-17-18-19-20-21(17)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3
InChIKeyYHYWRZRTGVTXKY-UHFFFAOYSA-N
XLogP3.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 977337
3-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 51124121
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 17403499
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7674118
1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
CID 97222986
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931313
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutanenitrile
CID 84602417

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole (CID 7352304) is 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole is Cc1cccc(CSc2nnnn2-c2ccc(C)cc2C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
The InChIKey is YHYWRZRTGVTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-5-4-6-15(10-12)11-22-17-18-19-20-21(17)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole?
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole has a molecular weight of 310.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 7352304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).