3-propan-2-yl-1H-quinoxaline-2-thione

C11H12N2S — CID 119082099

IUPAC3-propan-2-yl-1H-quinoxaline-2-thione
SMILESCC(C)c1nc2ccccc2[nH]c1=S
InChIInChI=1S/C11H12N2S/c1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h3-7H,1-2H3,(H,13,14)
InChIKeyPPQFZYBTZUELNF-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.42
Rot. Bonds1

About 3-propan-2-yl-1H-quinoxaline-2-thione

3-propan-2-yl-1H-quinoxaline-2-thione (PubChem CID 119082099) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-propan-2-yl-1H-quinoxaline-2-thione.

Molecular Properties

Compound Name3-propan-2-yl-1H-quinoxaline-2-thione
PubChem CID119082099
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-propan-2-yl-1H-quinoxaline-2-thione
SMILESCC(C)c1nc2ccccc2[nH]c1=S
InChIInChI=1S/C11H12N2S/c1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h3-7H,1-2H3,(H,13,14)
InChIKeyPPQFZYBTZUELNF-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-2-yl-1H-quinoxaline-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-methyl-1H-benzimidazole
CID 11984
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
2-propan-2-yl-4-tritio-1H-benzimidazole
CID 155790208
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
3-butylsulfanyl-1H-quinoxaline-2-thione
CID 13142853
3-quinoxalin-2-yl-1H-quinoxaline-2-thione
CID 14881081
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
1-(1H-benzimidazol-2-yloxy)ethanol
CID 164970423
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-quinoxaline-2-thione?
The IUPAC name of 3-propan-2-yl-1H-quinoxaline-2-thione (CID 119082099) is 3-propan-2-yl-1H-quinoxaline-2-thione.
What is the SMILES notation for 3-propan-2-yl-1H-quinoxaline-2-thione?
The canonical SMILES for 3-propan-2-yl-1H-quinoxaline-2-thione is CC(C)c1nc2ccccc2[nH]c1=S.
What is the InChIKey of 3-propan-2-yl-1H-quinoxaline-2-thione?
The InChIKey is PPQFZYBTZUELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h3-7H,1-2H3,(H,13,14).
What are the key properties of 3-propan-2-yl-1H-quinoxaline-2-thione?
3-propan-2-yl-1H-quinoxaline-2-thione has a molecular weight of 204.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-quinoxaline-2-thione is sourced from PubChem (CID 119082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).