2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline

C18H14N2S2 — CID 58500697

IUPAC2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline
SMILESCc1nc2c(-c3cccs3)ccc(-c3cccs3)c2nc1C
InChIInChI=1S/C18H14N2S2/c1-11-12(2)20-18-14(16-6-4-10-22-16)8-7-13(17(18)19-11)15-5-3-9-21-15/h3-10H,1-2H3
InChIKeyWTOPNAPZQYZYIP-UHFFFAOYSA-N
MW322.46 g/mol
LogP5.70
Rot. Bonds2

About 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline

2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline (PubChem CID 58500697) has the molecular formula C18H14N2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline
PubChem CID58500697
Molecular FormulaC18H14N2S2
Molecular Weight322.46 g/mol
Exact Mass322.06
IUPAC Name2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline
SMILESCc1nc2c(-c3cccs3)ccc(-c3cccs3)c2nc1C
InChIInChI=1S/C18H14N2S2/c1-11-12(2)20-18-14(16-6-4-10-22-16)8-7-13(17(18)19-11)15-5-3-9-21-15/h3-10H,1-2H3
InChIKeyWTOPNAPZQYZYIP-UHFFFAOYSA-N
XLogP5.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.46
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline?
The IUPAC name of 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline (CID 58500697) is 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline?
The canonical SMILES for 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline is Cc1nc2c(-c3cccs3)ccc(-c3cccs3)c2nc1C.
What is the InChIKey of 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline?
The InChIKey is WTOPNAPZQYZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S2/c1-11-12(2)20-18-14(16-6-4-10-22-16)8-7-13(17(18)19-11)15-5-3-9-21-15/h3-10H,1-2H3.
What are the key properties of 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline?
2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline has a molecular weight of 322.46 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,8-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 58500697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).