2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene

C41H53NOS5 — CID 157072532

About 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene

2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene (PubChem CID 157072532) has the molecular formula C41H53NOS5 and a molecular weight of 736.22 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene.

Molecular Properties

• Compound Name: 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene
• PubChem CID: 157072532
• Molecular Formula: C41H53NOS5
• Molecular Weight: 736.22 g/mol
• Exact Mass: 735.27
• IUPAC Name: 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene
• SMILES: C.CC.Cc1cc2sc(C)c(C)c2o1.Cc1cc2sc(C)c(C)c2s1.Cc1sc2cc(C)n(C)c2c1C.Cc1sc2ccccc2c1C
• InChI: InChI=1S/C10H13NS.C10H10S.C9H10OS.C9H10S2.C2H6.CH4/c1-6-5-9-10(11(6)4)7(2)8(3)12-9;1-7-8(2)11-10-6-4-3-5-9(7)10;2*1-5-4-8-9(10-5)6(2)7(3)11-8;1-2;/h5H,1-4H3;3-6H,1-2H3;2*4H,1-3H3;1-2H3;1H4
• InChIKey: ACPDBUYWFHFQCR-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 18.07 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.22
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene?

The IUPAC name of 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene (CID 157072532) is 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene.

What is the SMILES notation for 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene?

The canonical SMILES for 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene is C.CC.Cc1cc2sc(C)c(C)c2o1.Cc1cc2sc(C)c(C)c2s1.Cc1sc2cc(C)n(C)c2c1C.Cc1sc2ccccc2c1C.

What is the InChIKey of 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene?

The InChIKey is ACPDBUYWFHFQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.C10H10S.C9H10OS.C9H10S2.C2H6.CH4/c1-6-5-9-10(11(6)4)7(2)8(3)12-9;1-7-8(2)11-10-6-4-3-5-9(7)10;2*1-5-4-8-9(10-5)6(2)7(3)11-8;1-2;/h5H,1-4H3;3-6H,1-2H3;2*4H,1-3H3;1-2H3;1H4.

What are the key properties of 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene?

2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene has a molecular weight of 736.22 g/mol, XLogP of 15.65, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-1-benzothiophene;ethane;methane;2,3,4,5-tetramethylthieno[3,2-b]pyrrole;2,5,6-trimethylthieno[3,2-b]furan;2,5,6-trimethylthieno[3,2-b]thiophene is sourced from PubChem (CID 157072532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).