5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole

C15H14N4OS — CID 864192

IUPAC5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SCc1ccccc1
InChIInChI=1S/C15H14N4OS/c1-20-14-10-6-5-9-13(14)19-15(16-17-18-19)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyMGKRAGDGBHTCTC-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.96
Rot. Bonds5

About 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole

5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole (PubChem CID 864192) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole
PubChem CID864192
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SCc1ccccc1
InChIInChI=1S/C15H14N4OS/c1-20-14-10-6-5-9-13(14)19-15(16-17-18-19)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyMGKRAGDGBHTCTC-UHFFFAOYSA-N
XLogP2.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole?
The IUPAC name of 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole (CID 864192) is 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole?
The canonical SMILES for 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole is COc1ccccc1-n1nnnc1SCc1ccccc1.
What is the InChIKey of 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole?
The InChIKey is MGKRAGDGBHTCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-14-10-6-5-9-13(14)19-15(16-17-18-19)21-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole?
5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole has a molecular weight of 298.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-1-(2-methoxyphenyl)tetrazole is sourced from PubChem (CID 864192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).