5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole

C15H14N4S — CID 3638084

IUPAC5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
SMILESCc1ccccc1CSc1nnnn1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-12-7-5-6-8-13(12)11-20-15-16-17-18-19(15)14-9-3-2-4-10-14/h2-10H,11H2,1H3
InChIKeyFQNKZIXFYVPCIV-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.26
Rot. Bonds4

About 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole

5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole (PubChem CID 3638084) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
PubChem CID3638084
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
SMILESCc1ccccc1CSc1nnnn1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-12-7-5-6-8-13(12)11-20-15-16-17-18-19(15)14-9-3-2-4-10-14/h2-10H,11H2,1H3
InChIKeyFQNKZIXFYVPCIV-UHFFFAOYSA-N
XLogP3.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-2-phenylpyrazol-3-one
CID 17416334
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole
CID 7695789
8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40663459
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
3-[(2-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841245
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
6-chloro-7-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one
CID 7465426
2-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 62495417

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole?
The IUPAC name of 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole (CID 3638084) is 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole is Cc1ccccc1CSc1nnnn1-c1ccccc1.
What is the InChIKey of 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole?
The InChIKey is FQNKZIXFYVPCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-12-7-5-6-8-13(12)11-20-15-16-17-18-19(15)14-9-3-2-4-10-14/h2-10H,11H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole?
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole has a molecular weight of 282.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole is sourced from PubChem (CID 3638084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).