6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C6H3ClN2O2S — CID 19100724

IUPAC6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(Cl)sc2[nH]c1=O
InChIInChI=1S/C6H3ClN2O2S/c7-3-1-2-6(12-3)9-5(11)4(10)8-2/h1H,(H,8,10)(H,9,11)
InChIKeyXXIVRJUSZVRCAC-UHFFFAOYSA-N
MW202.62 g/mol
LogP0.93
Rot. Bonds

About 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100724) has the molecular formula C6H3ClN2O2S and a molecular weight of 202.62 g/mol. Its IUPAC name is 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100724
Molecular FormulaC6H3ClN2O2S
Molecular Weight202.62 g/mol
Exact Mass201.96
IUPAC Name6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(Cl)sc2[nH]c1=O
InChIInChI=1S/C6H3ClN2O2S/c7-3-1-2-6(12-3)9-5(11)4(10)8-2/h1H,(H,8,10)(H,9,11)
InChIKeyXXIVRJUSZVRCAC-UHFFFAOYSA-N
XLogP0.93
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 50.93
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 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100724) is 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc(Cl)sc2[nH]c1=O.
What is the InChIKey of 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is XXIVRJUSZVRCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2S/c7-3-1-2-6(12-3)9-5(11)4(10)8-2/h1H,(H,8,10)(H,9,11).
What are the key properties of 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 202.62 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).