3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene

C181H192Br7Cl10F9N2O2S20 — CID 159307892

About 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene

3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene (PubChem CID 159307892) has the molecular formula C181H192Br7Cl10F9N2O2S20 and a molecular weight of 4153.72 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene.

Molecular Properties

• Compound Name: 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene
• PubChem CID: 159307892
• Molecular Formula: C181H192Br7Cl10F9N2O2S20
• Molecular Weight: 4153.72 g/mol
• Exact Mass: 4138.04
• IUPAC Name: 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene
• SMILES: CBr.CCc1ccc(C)cc1.CCc1ccc(Cl)cc1.CCc1ccc(OC)cc1.CCc1ccccc1.CCl.CF.COc1ccc(C)cc1.Cc1cc(Br)c(Br)s1.Cc1cc(Br)c(Cl)s1.Cc1cc(Br)c(F)s1.Cc1cc(Cl)c(Cl)s1.Cc1cc(Cl)c(F)s1.Cc1cc(F)c(Br)s1.Cc1cc(F)c(Cl)s1.Cc1cc(F)c(F)s1.Cc1cc(F)cs1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccccc2s1.Cc1cc2cccnc2s1.Cc1cc2ccncc2s1.Cc1ccc(Br)s1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)s1.Cc1ccc(F)s1.Cc1ccccc1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1cccs1
• InChI: InChI=1S/C9H7ClS.C9H12O.C9H8S.C9H12.C8H9Cl.2C8H7NS.C8H10O.2C8H10.C7H7Cl.C7H8.C5H4Br2S.C5H4BrClS.2C5H4BrFS.C5H5BrS.C5H4Cl2S.2C5H4ClFS.C5H5ClS.C5H4F2S.2C5H5FS.4C5H6S.CH3Br.CH3Cl.CH3F/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-3-8-4-6-9(10-2)7-5-8;1-7-6-8-4-2-3-5-9(8)10-7;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-6-4-7-2-3-9-5-8(7)10-6;1-6-5-7-3-2-4-9-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-3-2-4(6)5(7)8-3;1-3-2-4(7)5(6)8-3;1-3-2-4(6)5(7)8-3;1-4-2-3-5(6)7-4;1-3-2-4(6)5(7)8-3;1-3-2-4(7)5(6)8-3;1-3-2-4(6)5(7)8-3;1-4-2-3-5(6)7-4;1-3-2-4(6)5(7)8-3;1-4-2-5(6)3-7-4;1-4-2-3-5(6)7-4;4*1-5-3-2-4-6-5;3*1-2/h2-5H,1H3;4-7H,3H2,1-2H3;2-6H,1H3;4-7H,3H2,1-2H3;3-6H,2H2,1H3;2*2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;2-6H,1H3;4*2H,1H3;2-3H,1H3;3*2H,1H3;2-3H,1H3;2H,1H3;2*2-3H,1H3;4*2-4H,1H3;3*1H3
• InChIKey: LCDOCBVYHYCKRR-UHFFFAOYSA-N
• XLogP: 76.16
• TPSA: 44.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4153.72
LogP ≤ 5	76.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene?

The IUPAC name of 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene (CID 159307892) is 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene.

What is the SMILES notation for 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene?

The canonical SMILES for 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene is CBr.CCc1ccc(C)cc1.CCc1ccc(Cl)cc1.CCc1ccc(OC)cc1.CCc1ccccc1.CCl.CF.COc1ccc(C)cc1.Cc1cc(Br)c(Br)s1.Cc1cc(Br)c(Cl)s1.Cc1cc(Br)c(F)s1.Cc1cc(Cl)c(Cl)s1.Cc1cc(Cl)c(F)s1.Cc1cc(F)c(Br)s1.Cc1cc(F)c(Cl)s1.Cc1cc(F)c(F)s1.Cc1cc(F)cs1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccccc2s1.Cc1cc2cccnc2s1.Cc1cc2ccncc2s1.Cc1ccc(Br)s1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)s1.Cc1ccc(F)s1.Cc1ccccc1.Cc1cccs1.Cc1cccs1.Cc1cccs1.Cc1cccs1.

What is the InChIKey of 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene?

The InChIKey is LCDOCBVYHYCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClS.C9H12O.C9H8S.C9H12.C8H9Cl.2C8H7NS.C8H10O.2C8H10.C7H7Cl.C7H8.C5H4Br2S.C5H4BrClS.2C5H4BrFS.C5H5BrS.C5H4Cl2S.2C5H4ClFS.C5H5ClS.C5H4F2S.2C5H5FS.4C5H6S.CH3Br.CH3Cl.CH3F/c1-6-4-7-5-8(10)2-3-9(7)11-6;1-3-8-4-6-9(10-2)7-5-8;1-7-6-8-4-2-3-5-9(8)10-7;1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-6-4-7-2-3-9-5-8(7)10-6;1-6-5-7-3-2-4-9-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-3-2-4(6)5(7)8-3;1-3-2-4(7)5(6)8-3;1-3-2-4(6)5(7)8-3;1-4-2-3-5(6)7-4;1-3-2-4(6)5(7)8-3;1-3-2-4(7)5(6)8-3;1-3-2-4(6)5(7)8-3;1-4-2-3-5(6)7-4;1-3-2-4(6)5(7)8-3;1-4-2-5(6)3-7-4;1-4-2-3-5(6)7-4;4*1-5-3-2-4-6-5;3*1-2/h2-5H,1H3;4-7H,3H2,1-2H3;2-6H,1H3;4-7H,3H2,1-2H3;3-6H,2H2,1H3;2*2-5H,1H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;2-6H,1H3;4*2H,1H3;2-3H,1H3;3*2H,1H3;2-3H,1H3;2H,1H3;2*2-3H,1H3;4*2-4H,1H3;3*1H3.

What are the key properties of 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene?

3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene has a molecular weight of 4153.72 g/mol, XLogP of 76.16, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-chloro-5-methylthiophene;2-bromo-3-fluoro-5-methylthiophene;3-bromo-2-fluoro-5-methylthiophene;bromomethane;2-bromo-5-methylthiophene;1-chloro-4-ethylbenzene;2-chloro-3-fluoro-5-methylthiophene;3-chloro-2-fluoro-5-methylthiophene;chloromethane;1-chloro-4-methylbenzene;5-chloro-2-methyl-1-benzothiophene;2-chloro-5-methylthiophene;2,3-dibromo-5-methylthiophene;2,3-dichloro-5-methylthiophene;2,3-difluoro-5-methylthiophene;ethylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-4-methylbenzene;fluoromethane;2-fluoro-5-methylthiophene;4-fluoro-2-methylthiophene;1-methoxy-4-methylbenzene;2-methyl-1-benzothiophene;2-methylthieno[2,3-b]pyridine;2-methylthieno[2,3-c]pyridine;tetrakis(2-methylthiophene);toluene;1,4-xylene is sourced from PubChem (CID 159307892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).