6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one

C10H6N2OS2 — CID 17109

IUPAC6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
SMILESCc1ccc2nc3sc(=O)sc3nc2c1
InChIInChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
InChIKeyFBQQHUGEACOBDN-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.57
Rot. Bonds

About 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one

6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one (PubChem CID 17109) has the molecular formula C10H6N2OS2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one.

Molecular Properties

Compound Name6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
PubChem CID17109
Molecular FormulaC10H6N2OS2
Molecular Weight234.31 g/mol
Exact Mass233.99
IUPAC Name6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one
SMILESCc1ccc2nc3sc(=O)sc3nc2c1
InChIInChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
InChIKeyFBQQHUGEACOBDN-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one?
The IUPAC name of 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one (CID 17109) is 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one.
What is the SMILES notation for 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one?
The canonical SMILES for 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one is Cc1ccc2nc3sc(=O)sc3nc2c1.
What is the InChIKey of 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one?
The InChIKey is FBQQHUGEACOBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3.
What are the key properties of 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one?
6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one has a molecular weight of 234.31 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one is sourced from PubChem (CID 17109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).