5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

C15H12Cl2N4S — CID 16508726

IUPAC5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N4S/c1-10-4-2-3-5-14(10)21-15(18-19-20-21)22-9-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3
InChIKeyNKHRZSJODNOEDL-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.57
Rot. Bonds4

About 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (PubChem CID 16508726) has the molecular formula C15H12Cl2N4S and a molecular weight of 351.26 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
PubChem CID16508726
Molecular FormulaC15H12Cl2N4S
Molecular Weight351.26 g/mol
Exact Mass350.02
IUPAC Name5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N4S/c1-10-4-2-3-5-14(10)21-15(18-19-20-21)22-9-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3
InChIKeyNKHRZSJODNOEDL-UHFFFAOYSA-N
XLogP4.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (CID 16508726) is 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is Cc1ccccc1-n1nnnc1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The InChIKey is NKHRZSJODNOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4S/c1-10-4-2-3-5-14(10)21-15(18-19-20-21)22-9-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3.
What are the key properties of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole has a molecular weight of 351.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 16508726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).