6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

C6H2Cl2N2O2S — CID 19100739

IUPAC6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2sc(Cl)c(Cl)c2[nH]c1=O
InChIInChI=1S/C6H2Cl2N2O2S/c7-1-2-6(13-3(1)8)10-5(12)4(11)9-2/h(H,9,11)(H,10,12)
InChIKeyGDHQKYGLONSKSZ-UHFFFAOYSA-N
MW237.07 g/mol
LogP1.58
Rot. Bonds

About 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione

6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100739) has the molecular formula C6H2Cl2N2O2S and a molecular weight of 237.07 g/mol. Its IUPAC name is 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100739
Molecular FormulaC6H2Cl2N2O2S
Molecular Weight237.07 g/mol
Exact Mass235.92
IUPAC Name6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2sc(Cl)c(Cl)c2[nH]c1=O
InChIInChI=1S/C6H2Cl2N2O2S/c7-1-2-6(13-3(1)8)10-5(12)4(11)9-2/h(H,9,11)(H,10,12)
InChIKeyGDHQKYGLONSKSZ-UHFFFAOYSA-N
XLogP1.58
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 51.58
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 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100739) is 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2sc(Cl)c(Cl)c2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is GDHQKYGLONSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2S/c7-1-2-6(13-3(1)8)10-5(12)4(11)9-2/h(H,9,11)(H,10,12).
What are the key properties of 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 237.07 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).