11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole

C13H10N2OS — CID 10490354

IUPAC11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole
SMILESC1=CC2Sc3ccccc3CC2c2nonc21
InChIInChI=1S/C13H10N2OS/c1-2-4-11-8(3-1)7-9-12(17-11)6-5-10-13(9)15-16-14-10/h1-6,9,12H,7H2
InChIKeyFAYVVAKLNHSLEE-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.90
Rot. Bonds

About 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole

11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole (PubChem CID 10490354) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole.

Molecular Properties

Compound Name11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole
PubChem CID10490354
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole
SMILESC1=CC2Sc3ccccc3CC2c2nonc21
InChIInChI=1S/C13H10N2OS/c1-2-4-11-8(3-1)7-9-12(17-11)6-5-10-13(9)15-16-14-10/h1-6,9,12H,7H2
InChIKeyFAYVVAKLNHSLEE-UHFFFAOYSA-N
XLogP2.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole?
The IUPAC name of 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole (CID 10490354) is 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole.
What is the SMILES notation for 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole?
The canonical SMILES for 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole is C1=CC2Sc3ccccc3CC2c2nonc21.
What is the InChIKey of 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole?
The InChIKey is FAYVVAKLNHSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-2-4-11-8(3-1)7-9-12(17-11)6-5-10-13(9)15-16-14-10/h1-6,9,12H,7H2.
What are the key properties of 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole?
11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole has a molecular weight of 242.30 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11a-dihydro-5aH-thiochromeno[2,3-g][2,1,3]benzoxadiazole is sourced from PubChem (CID 10490354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).