2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol

C12H14N4O2S — CID 66365603

IUPAC2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1SCC1Cc2ccccc2O1
InChIInChI=1S/C12H14N4O2S/c17-6-5-16-12(13-14-15-16)19-8-10-7-9-3-1-2-4-11(9)18-10/h1-4,10,17H,5-8H2
InChIKeyGHSQVHGKMNRSSM-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.76
Rot. Bonds5

About 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol

2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol (PubChem CID 66365603) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol
PubChem CID66365603
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol
SMILESOCCn1nnnc1SCC1Cc2ccccc2O1
InChIInChI=1S/C12H14N4O2S/c17-6-5-16-12(13-14-15-16)19-8-10-7-9-3-1-2-4-11(9)18-10/h1-4,10,17H,5-8H2
InChIKeyGHSQVHGKMNRSSM-UHFFFAOYSA-N
XLogP0.76
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol (CID 66365603) is 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol is OCCn1nnnc1SCC1Cc2ccccc2O1.
What is the InChIKey of 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol?
The InChIKey is GHSQVHGKMNRSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-6-5-16-12(13-14-15-16)19-8-10-7-9-3-1-2-4-11(9)18-10/h1-4,10,17H,5-8H2.
What are the key properties of 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol?
2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol has a molecular weight of 278.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]ethanol is sourced from PubChem (CID 66365603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).