1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole

C18H20N4OS — CID 112776173

IUPAC1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole
SMILESCc1ccc(-n2nnnc2SCCOc2ccccc2C)c(C)c1
InChIInChI=1S/C18H20N4OS/c1-13-8-9-16(15(3)12-13)22-18(19-20-21-22)24-11-10-23-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3
InChIKeyQTNXXDWKKSFQST-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.76
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole

1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole (PubChem CID 112776173) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole
PubChem CID112776173
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole
SMILESCc1ccc(-n2nnnc2SCCOc2ccccc2C)c(C)c1
InChIInChI=1S/C18H20N4OS/c1-13-8-9-16(15(3)12-13)22-18(19-20-21-22)24-11-10-23-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3
InChIKeyQTNXXDWKKSFQST-UHFFFAOYSA-N
XLogP3.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-methylphenoxy)ethylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 52888312
1-(2,4-dimethylphenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]tetrazole
CID 4811763
5-[2-(2-fluorophenoxy)ethylsulfanyl]-1-(2-methoxy-5-methylphenyl)tetrazole
CID 2113935
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931313
4-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutanenitrile
CID 84602417
1-(2,4-dimethylphenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 7352304
5-[(2-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
1-(2,4-dimethylphenyl)-5-[(2S)-2-methylbutyl]sulfanyltetrazole
CID 97222986
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
1-(4-methylphenyl)-5-[2-(2-nitrophenoxy)ethylsulfanyl]tetrazole
CID 55849296
1-(3,4-dimethoxyphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2485459
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole (CID 112776173) is 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole is Cc1ccc(-n2nnnc2SCCOc2ccccc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole?
The InChIKey is QTNXXDWKKSFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-8-9-16(15(3)12-13)22-18(19-20-21-22)24-11-10-23-17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole?
1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole has a molecular weight of 340.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-[2-(2-methylphenoxy)ethylsulfanyl]tetrazole is sourced from PubChem (CID 112776173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).