benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene

C151H202N12O8S4 — CID 157066659

About benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene

benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene (PubChem CID 157066659) has the molecular formula C151H202N12O8S4 and a molecular weight of 2441.62 g/mol. Its IUPAC name is benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene.

Molecular Properties

• Compound Name: benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene
• PubChem CID: 157066659
• Molecular Formula: C151H202N12O8S4
• Molecular Weight: 2441.62 g/mol
• Exact Mass: 2439.47
• IUPAC Name: benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.O=C1COc2ccccc2N1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1
• InChI: InChI=1S/C10H8.C9H11N.C9H10.C8H7NO2.C8H9NO.C8H9NS.C8H9N.C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C7H6O2.C6H6.C5H5N.C4H4N2.C4H5N.C4H4O.C4H4S.19CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;10-8-5-11-7-4-2-1-3-6(7)9-8;2*1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;/h1-8H;1-2,4,6,10H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;1-4,9H,5-6H2;1-6,9H;2*1-6H;2*1-5H;1-4H,5H2;1-6H;1-5H;1-4H;1-5H;2*1-4H;19*1H4
• InChIKey: ABYJYBHWCLRVQJ-UHFFFAOYSA-N
• XLogP: 45.84
• TPSA: 249.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.62
LogP ≤ 5	45.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene?

The IUPAC name of benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene (CID 157066659) is benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene.

What is the SMILES notation for benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene?

The canonical SMILES for benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.O=C1COc2ccccc2N1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1.

What is the InChIKey of benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene?

The InChIKey is ABYJYBHWCLRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H11N.C9H10.C8H7NO2.C8H9NO.C8H9NS.C8H9N.C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C7H6O2.C6H6.C5H5N.C4H4N2.C4H5N.C4H4O.C4H4S.19CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;10-8-5-11-7-4-2-1-3-6(7)9-8;2*1-2-4-8-7(3-1)9-5-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;/h1-8H;1-2,4,6,10H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;1-4,9H,5-6H2;1-6,9H;2*1-6H;2*1-5H;1-4H,5H2;1-6H;1-5H;1-4H;1-5H;2*1-4H;19*1H4.

What are the key properties of benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene?

benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene has a molecular weight of 2441.62 g/mol, XLogP of 45.84, 0 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;4H-1,4-benzoxazin-3-one;1,3-benzoxazole;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;furan;1H-indole;methane;naphthalene;pyridine;pyrimidine;1H-pyrrole;1,2,3,4-tetrahydroquinoline;thiophene is sourced from PubChem (CID 157066659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).