2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline

C96H102N6O19S12 — CID 160681902

About 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline

2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline (PubChem CID 160681902) has the molecular formula C96H102N6O19S12 and a molecular weight of 2028.70 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline
• PubChem CID: 160681902
• Molecular Formula: C96H102N6O19S12
• Molecular Weight: 2028.70 g/mol
• Exact Mass: 2026.38
• IUPAC Name: 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline
• SMILES: C=S1(=O)CCS(=O)(=O)c2ccccc21.O=S1(=O)CCNc2ccccc21.O=S1(=O)CCOc2ccccc21.O=S1(=O)CS(=O)(=O)c2ccccc21.O=S1CCNc2ccccc21.O=S1CCOc2ccccc21.c1ccc2c(c1)NCCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCCS2.c1ccc2c(c1)SCCS2
• InChI: InChI=1S/C9H10O3S2.C8H10N2.C8H9NO2S.C8H9NOS.C8H9NO.C8H9NS.C8H8O3S.C8H8O2S.C8H8O2.C8H8OS.C8H8S2.C7H6O4S2/c1-13(10)6-7-14(11,12)9-5-3-2-4-8(9)13;1-2-4-8-7(3-1)9-5-6-10-8;10-12(11)6-5-9-7-3-1-2-4-8(7)12;10-11-6-5-9-7-3-1-2-4-8(7)11;2*1-2-4-8-7(3-1)9-5-6-10-8;9-12(10)6-5-11-7-3-1-2-4-8(7)12;9-11-6-5-10-7-3-1-2-4-8(7)11;3*1-2-4-8-7(3-1)9-5-6-10-8;8-12(9)5-13(10,11)7-4-2-1-3-6(7)12/h2-5H,1,6-7H2;1-4,9-10H,5-6H2;1-4,9H,5-6H2;1-4,9H,5-6H2;2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;3*1-4H,5-6H2;1-4H,5H2
• InChIKey: ROGIIFFHUCGGOO-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 349.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.70
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline?

The IUPAC name of 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline (CID 160681902) is 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline is C=S1(=O)CCS(=O)(=O)c2ccccc21.O=S1(=O)CCNc2ccccc21.O=S1(=O)CCOc2ccccc21.O=S1(=O)CS(=O)(=O)c2ccccc21.O=S1CCNc2ccccc21.O=S1CCOc2ccccc21.c1ccc2c(c1)NCCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCCS2.c1ccc2c(c1)SCCS2.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline?

The InChIKey is ROGIIFFHUCGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S2.C8H10N2.C8H9NO2S.C8H9NOS.C8H9NO.C8H9NS.C8H8O3S.C8H8O2S.C8H8O2.C8H8OS.C8H8S2.C7H6O4S2/c1-13(10)6-7-14(11,12)9-5-3-2-4-8(9)13;1-2-4-8-7(3-1)9-5-6-10-8;10-12(11)6-5-9-7-3-1-2-4-8(7)12;10-11-6-5-9-7-3-1-2-4-8(7)11;2*1-2-4-8-7(3-1)9-5-6-10-8;9-12(10)6-5-11-7-3-1-2-4-8(7)12;9-11-6-5-10-7-3-1-2-4-8(7)11;3*1-2-4-8-7(3-1)9-5-6-10-8;8-12(9)5-13(10,11)7-4-2-1-3-6(7)12/h2-5H,1,6-7H2;1-4,9-10H,5-6H2;1-4,9H,5-6H2;1-4,9H,5-6H2;2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;3*1-4H,5-6H2;1-4H,5H2.

What are the key properties of 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline?

2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline has a molecular weight of 2028.70 g/mol, XLogP of 16.63, 0 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1,4-benzodithiine;3,4-dihydro-2H-1,4-benzothiazine;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;3,4-dihydro-2H-1λ4,4-benzothiazine 1-oxide;2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1-methylidene-2,3-dihydro-1λ6,4λ6-benzodithiine 1,4,4-trioxide;1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 160681902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).