5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole

C15H14N4OS — CID 773480

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
SMILESCOc1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H14N4OS/c1-20-14-9-7-12(8-10-14)11-21-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMLYXSMGYQPLMCB-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.96
Rot. Bonds5

About 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole

5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole (PubChem CID 773480) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
PubChem CID773480
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole
SMILESCOc1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H14N4OS/c1-20-14-9-7-12(8-10-14)11-21-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMLYXSMGYQPLMCB-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole (CID 773480) is 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole is COc1ccc(CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
The InChIKey is MLYXSMGYQPLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-14-9-7-12(8-10-14)11-21-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole?
5-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole 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-[(4-methoxyphenyl)methylsulfanyl]-1-phenyltetrazole is sourced from PubChem (CID 773480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).