1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene

C184H182N12O13S12 — CID 158174881

About 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene

1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene (PubChem CID 158174881) has the molecular formula C184H182N12O13S12 and a molecular weight of 3154.35 g/mol. Its IUPAC name is 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene.

Molecular Properties

• Compound Name: 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene
• PubChem CID: 158174881
• Molecular Formula: C184H182N12O13S12
• Molecular Weight: 3154.35 g/mol
• Exact Mass: 3151.06
• IUPAC Name: 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene
• SMILES: C1=COc2ccccc2C1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CNC2.c1ccc2c(c1)CNN2.c1ccc2c(c1)CNO2.c1ccc2c(c1)CNS2.c1ccc2c(c1)COC2.c1ccc2c(c1)CON2.c1ccc2c(c1)COS2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSN2.c1ccc2c(c1)CSO2.c1ccc2c(c1)NCN2.c1ccc2c(c1)NCO2.c1ccc2c(c1)NCS2.c1ccc2c(c1)OCO2.c1ccc2c(c1)OCS2.c1ccc2c(c1)SCS2
• InChI: InChI=1S/C9H10O.2C9H8O.C9H10S.C9H8S.2C8H9N.2C8H8O.2C8H8S.2C7H8N2.3C7H7NO.3C7H7NS.C7H6O2.3C7H6OS.C7H6S2/c5*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-6H,7H2;1-2,4,6H,3,5,7H2;1-6H,7H2;2*1-4,9H,5-6H2;4*1-4H,5-6H2;2*1-4,8-9H,5H2;6*1-4,8H,5H2;5*1-4H,5H2
• InChIKey: FXWQBXYRATTYIV-UHFFFAOYSA-N
• XLogP: 46.55
• TPSA: 264.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3154.35
LogP ≤ 5	46.55
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene?

The IUPAC name of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene (CID 158174881) is 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene.

What is the SMILES notation for 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene?

The canonical SMILES for 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene is C1=COc2ccccc2C1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CNC2.c1ccc2c(c1)CNN2.c1ccc2c(c1)CNO2.c1ccc2c(c1)CNS2.c1ccc2c(c1)COC2.c1ccc2c(c1)CON2.c1ccc2c(c1)COS2.c1ccc2c(c1)CSC2.c1ccc2c(c1)CSN2.c1ccc2c(c1)CSO2.c1ccc2c(c1)NCN2.c1ccc2c(c1)NCO2.c1ccc2c(c1)NCS2.c1ccc2c(c1)OCO2.c1ccc2c(c1)OCS2.c1ccc2c(c1)SCS2.

What is the InChIKey of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene?

The InChIKey is FXWQBXYRATTYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.2C9H8O.C9H10S.C9H8S.2C8H9N.2C8H8O.2C8H8S.2C7H8N2.3C7H7NO.3C7H7NS.C7H6O2.3C7H6OS.C7H6S2/c5*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-6H,7H2;1-2,4,6H,3,5,7H2;1-6H,7H2;2*1-4,9H,5-6H2;4*1-4H,5-6H2;2*1-4,8-9H,5H2;6*1-4,8H,5H2;5*1-4H,5H2.

What are the key properties of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene?

1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene has a molecular weight of 3154.35 g/mol, XLogP of 46.55, 0 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;3H-1,2-benzoxathiole;3H-2,1-benzoxathiole;2H-chromene;4H-chromene;2,3-dihydro-1H-benzimidazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2,1-benzothiazole;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,3-benzothiazole;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2,1-benzoxazole;2,3-dihydro-1,2-benzoxazole;2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-thiochromene;2H-thiochromene is sourced from PubChem (CID 158174881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).