7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C12H8N2O2S — CID 19100767

IUPAC7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C12H8N2O2S/c15-10-11(16)14-12-9(13-10)8(6-17-12)7-4-2-1-3-5-7/h1-6H,(H,13,15)(H,14,16)
InChIKeyDNOBRGIQCFHKDP-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.94
Rot. Bonds1

About 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100767) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100767
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C12H8N2O2S/c15-10-11(16)14-12-9(13-10)8(6-17-12)7-4-2-1-3-5-7/h1-6H,(H,13,15)(H,14,16)
InChIKeyDNOBRGIQCFHKDP-UHFFFAOYSA-N
XLogP1.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100767) is 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2scc(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is DNOBRGIQCFHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-10-11(16)14-12-9(13-10)8(6-17-12)7-4-2-1-3-5-7/h1-6H,(H,13,15)(H,14,16).
What are the key properties of 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 244.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).