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

C17H18N4S — CID 7647121

IUPAC5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccc(C)c(CSc2nnnn2-c2ccccc2C)c1
InChIInChI=1S/C17H18N4S/c1-12-8-9-13(2)15(10-12)11-22-17-18-19-20-21(17)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3
InChIKeyNDOLMPXGANFUDA-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.88
Rot. Bonds4

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

5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (PubChem CID 7647121) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
PubChem CID7647121
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccc(C)c(CSc2nnnn2-c2ccccc2C)c1
InChIInChI=1S/C17H18N4S/c1-12-8-9-13(2)15(10-12)11-22-17-18-19-20-21(17)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3
InChIKeyNDOLMPXGANFUDA-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-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile
CID 8692882
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7646433
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
(2,5-dimethylphenyl)methyl 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 7567048

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (CID 7647121) is 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is Cc1ccc(C)c(CSc2nnnn2-c2ccccc2C)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The InChIKey is NDOLMPXGANFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-8-9-13(2)15(10-12)11-22-17-18-19-20-21(17)16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)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 5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 7647121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).