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

C17H18N4S — CID 7878057

IUPAC1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1ccc(C)c(-n2nnnc2SCc2ccccc2C)c1
InChIInChI=1S/C17H18N4S/c1-12-8-9-14(3)16(10-12)21-17(18-19-20-21)22-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3
InChIKeyPFGWYGPONFWDGI-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.88
Rot. Bonds4

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

1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole (PubChem CID 7878057) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
PubChem CID7878057
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
SMILESCc1ccc(C)c(-n2nnnc2SCc2ccccc2C)c1
InChIInChI=1S/C17H18N4S/c1-12-8-9-14(3)16(10-12)21-17(18-19-20-21)22-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3
InChIKeyPFGWYGPONFWDGI-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

5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile
CID 8692882
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
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]sulfanylacetonitrile
CID 18777070
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 16625090
1-(2,5-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]tetrazole
CID 8692804
(2,5-dimethylphenyl)methyl 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 7567048

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole (CID 7878057) is 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole is Cc1ccc(C)c(-n2nnnc2SCc2ccccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole?
The InChIKey is PFGWYGPONFWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-8-9-14(3)16(10-12)21-17(18-19-20-21)22-11-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole?
1-(2,5-dimethylphenyl)-5-[(2-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-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 7878057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).