5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

C16H16N4OS — CID 7647181

IUPAC5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCOc1ccccc1CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C16H16N4OS/c1-12-7-3-5-9-14(12)20-16(17-18-19-20)22-11-13-8-4-6-10-15(13)21-2/h3-10H,11H2,1-2H3
InChIKeyVYDSKMIXHLCXMY-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.27
Rot. Bonds5

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

5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (PubChem CID 7647181) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
PubChem CID7647181
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCOc1ccccc1CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C16H16N4OS/c1-12-7-3-5-9-14(12)20-16(17-18-19-20)22-11-13-8-4-6-10-15(13)21-2/h3-10H,11H2,1-2H3
InChIKeyVYDSKMIXHLCXMY-UHFFFAOYSA-N
XLogP3.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 26576878
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
CID 18122103
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7646433
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8685909
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726
(2-methoxyphenyl)methyl 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 7567056

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (CID 7647181) is 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is COc1ccccc1CSc1nnnn1-c1ccccc1C.
What is the InChIKey of 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The InChIKey is VYDSKMIXHLCXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-12-7-3-5-9-14(12)20-16(17-18-19-20)22-11-13-8-4-6-10-15(13)21-2/h3-10H,11H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole has a molecular weight of 312.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 7647181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).