1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline

C10H10N2S — CID 91371519

IUPAC1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline
SMILESc1ccc2c(c1)N=C1CSCC1N2
InChIInChI=1S/C10H10N2S/c1-2-4-8-7(3-1)11-9-5-13-6-10(9)12-8/h1-4,9,11H,5-6H2
InChIKeyWBEHBJIJKKPMKH-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.30
Rot. Bonds

About 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline

1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline (PubChem CID 91371519) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline.

Molecular Properties

Compound Name1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline
PubChem CID91371519
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline
SMILESc1ccc2c(c1)N=C1CSCC1N2
InChIInChI=1S/C10H10N2S/c1-2-4-8-7(3-1)11-9-5-13-6-10(9)12-8/h1-4,9,11H,5-6H2
InChIKeyWBEHBJIJKKPMKH-UHFFFAOYSA-N
XLogP2.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
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(2S)-2-methyl-4-methylsulfanyl-2,3-dihydro-1H-1,5-benzodiazepine
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CID 7338116
4a,5-dihydro-1H-thiopyrano[3,4-b]quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline?
The IUPAC name of 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline (CID 91371519) is 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline.
What is the SMILES notation for 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline?
The canonical SMILES for 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline is c1ccc2c(c1)N=C1CSCC1N2.
What is the InChIKey of 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline?
The InChIKey is WBEHBJIJKKPMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-4-8-7(3-1)11-9-5-13-6-10(9)12-8/h1-4,9,11H,5-6H2.
What are the key properties of 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline?
1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline has a molecular weight of 190.27 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline is sourced from PubChem (CID 91371519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).