1-ethyl-3-methylquinoxaline-2-thione

C11H12N2S — CID 146015013

IUPAC1-ethyl-3-methylquinoxaline-2-thione
SMILESCCn1c(=S)c(C)nc2ccccc21
InChIInChI=1S/C11H12N2S/c1-3-13-10-7-5-4-6-9(10)12-8(2)11(13)14/h4-7H,3H2,1-2H3
InChIKeyWZGKLPJAUNMTMU-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.09
Rot. Bonds1

About 1-ethyl-3-methylquinoxaline-2-thione

1-ethyl-3-methylquinoxaline-2-thione (PubChem CID 146015013) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-ethyl-3-methylquinoxaline-2-thione.

Molecular Properties

Compound Name1-ethyl-3-methylquinoxaline-2-thione
PubChem CID146015013
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-ethyl-3-methylquinoxaline-2-thione
SMILESCCn1c(=S)c(C)nc2ccccc21
InChIInChI=1S/C11H12N2S/c1-3-13-10-7-5-4-6-9(10)12-8(2)11(13)14/h4-7H,3H2,1-2H3
InChIKeyWZGKLPJAUNMTMU-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-(1-ethylbenzimidazol-2-yl)-3-methylquinoxaline
CID 14365362
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
CID 43142634
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylquinoxaline-2-thione?
The IUPAC name of 1-ethyl-3-methylquinoxaline-2-thione (CID 146015013) is 1-ethyl-3-methylquinoxaline-2-thione.
What is the SMILES notation for 1-ethyl-3-methylquinoxaline-2-thione?
The canonical SMILES for 1-ethyl-3-methylquinoxaline-2-thione is CCn1c(=S)c(C)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-methylquinoxaline-2-thione?
The InChIKey is WZGKLPJAUNMTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-3-13-10-7-5-4-6-9(10)12-8(2)11(13)14/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylquinoxaline-2-thione?
1-ethyl-3-methylquinoxaline-2-thione has a molecular weight of 204.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylquinoxaline-2-thione is sourced from PubChem (CID 146015013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).