4,5-dihydrothieno[2,3-g][1,2]benzoxazole

C9H7NOS — CID 13452855

IUPAC4,5-dihydrothieno[2,3-g][1,2]benzoxazole
SMILESc1cc2c(s1)CCc1cnoc1-2
InChIInChI=1S/C9H7NOS/c1-2-8-7(3-4-12-8)9-6(1)5-10-11-9/h3-5H,1-2H2
InChIKeyFYLYCDZHFXLADO-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.50
Rot. Bonds

About 4,5-dihydrothieno[2,3-g][1,2]benzoxazole

4,5-dihydrothieno[2,3-g][1,2]benzoxazole (PubChem CID 13452855) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 4,5-dihydrothieno[2,3-g][1,2]benzoxazole.

Molecular Properties

Compound Name4,5-dihydrothieno[2,3-g][1,2]benzoxazole
PubChem CID13452855
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name4,5-dihydrothieno[2,3-g][1,2]benzoxazole
SMILESc1cc2c(s1)CCc1cnoc1-2
InChIInChI=1S/C9H7NOS/c1-2-8-7(3-4-12-8)9-6(1)5-10-11-9/h3-5H,1-2H2
InChIKeyFYLYCDZHFXLADO-UHFFFAOYSA-N
XLogP2.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrothieno[2,3-g][1,2]benzoxazole?
The IUPAC name of 4,5-dihydrothieno[2,3-g][1,2]benzoxazole (CID 13452855) is 4,5-dihydrothieno[2,3-g][1,2]benzoxazole.
What is the SMILES notation for 4,5-dihydrothieno[2,3-g][1,2]benzoxazole?
The canonical SMILES for 4,5-dihydrothieno[2,3-g][1,2]benzoxazole is c1cc2c(s1)CCc1cnoc1-2.
What is the InChIKey of 4,5-dihydrothieno[2,3-g][1,2]benzoxazole?
The InChIKey is FYLYCDZHFXLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-2-8-7(3-4-12-8)9-6(1)5-10-11-9/h3-5H,1-2H2.
What are the key properties of 4,5-dihydrothieno[2,3-g][1,2]benzoxazole?
4,5-dihydrothieno[2,3-g][1,2]benzoxazole has a molecular weight of 177.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrothieno[2,3-g][1,2]benzoxazole is sourced from PubChem (CID 13452855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).