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

C7H5ClN2O2S — CID 19100761

IUPAC6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESCc1c(Cl)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C7H5ClN2O2S/c1-2-3-7(13-4(2)8)10-6(12)5(11)9-3/h1H3,(H,9,11)(H,10,12)
InChIKeyZYFOQFZIPNZWHZ-UHFFFAOYSA-N
MW216.65 g/mol
LogP1.24
Rot. Bonds

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

6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (PubChem CID 19100761) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
PubChem CID19100761
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
SMILESCc1c(Cl)sc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C7H5ClN2O2S/c1-2-3-7(13-4(2)8)10-6(12)5(11)9-3/h1H3,(H,9,11)(H,10,12)
InChIKeyZYFOQFZIPNZWHZ-UHFFFAOYSA-N
XLogP1.24
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 51.24
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-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione (CID 19100761) is 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is Cc1c(Cl)sc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
The InChIKey is ZYFOQFZIPNZWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c1-2-3-7(13-4(2)8)10-6(12)5(11)9-3/h1H3,(H,9,11)(H,10,12).
What are the key properties of 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione?
6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione has a molecular weight of 216.65 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 19100761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).