5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole

C11H12N4OS — CID 71851478

IUPAC5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole
SMILESCn1nnnc1SCC1Cc2ccccc2O1
InChIInChI=1S/C11H12N4OS/c1-15-11(12-13-14-15)17-7-9-6-8-4-2-3-5-10(8)16-9/h2-5,9H,6-7H2,1H3
InChIKeyOPVJKZOQNUXNKH-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.31
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole

5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole (PubChem CID 71851478) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole
PubChem CID71851478
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole
SMILESCn1nnnc1SCC1Cc2ccccc2O1
InChIInChI=1S/C11H12N4OS/c1-15-11(12-13-14-15)17-7-9-6-8-4-2-3-5-10(8)16-9/h2-5,9H,6-7H2,1H3
InChIKeyOPVJKZOQNUXNKH-UHFFFAOYSA-N
XLogP1.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole (CID 71851478) is 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole is Cn1nnnc1SCC1Cc2ccccc2O1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole?
The InChIKey is OPVJKZOQNUXNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-15-11(12-13-14-15)17-7-9-6-8-4-2-3-5-10(8)16-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole?
5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole has a molecular weight of 248.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-1-methyltetrazole is sourced from PubChem (CID 71851478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).