but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene

C150H153N16OS18+ — CID 158137578

About but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene

but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene (PubChem CID 158137578) has the molecular formula C150H153N16OS18+ and a molecular weight of 2773.19 g/mol. Its IUPAC name is but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene.

Molecular Properties

• Compound Name: but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene
• PubChem CID: 158137578
• Molecular Formula: C150H153N16OS18+
• Molecular Weight: 2773.19 g/mol
• Exact Mass: 2769.74
• IUPAC Name: but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene
• SMILES: CC#CC.CC=CC.Cc1cc2c(C)c3sc(C)cc3c(C)c2s1.Cc1cc2sc(C)cc2s1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(-c2cccc3c2ns[n+]3C)c2nsnc12.Cc1ccc(C)c2cscc12.Cc1ccc(C)c2nsnc12.Cc1ccc(C)cc1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1sc(-c2sc(C)c3ccccc23)c2ccccc12.Cc1sc(-c2sc(C)c3cnncc23)c2cnncc12.Cc1sc(-c2sc(C)c3nccnc23)c2nccnc12
• InChI: InChI=1S/C18H14S2.2C14H10N4S2.C14H11N4S2.C14H14S2.C10H10S2.C10H10S.C8H8N2S.C8H8S2.C8H10.C7H11N.C6H8O.C6H8S.C5H7NS.C4H8.C4H6/c1-11-13-7-3-5-9-15(13)17(19-11)18-16-10-6-4-8-14(16)12(2)20-18;1-7-9-3-15-17-5-11(9)13(19-7)14-12-6-18-16-4-10(12)8(2)20-14;1-7-9-11(17-5-3-15-9)13(19-7)14-12-10(8(2)20-14)16-4-6-18-12;1-8-6-7-10(14-12(8)15-19-16-14)9-4-3-5-11-13(9)17-20-18(11)2;1-7-5-11-9(3)14-12(6-8(2)16-14)10(4)13(11)15-7;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-7-3-4-8(2)10-6-11-5-9(7)10;1-5-3-4-6(2)8-7(5)9-11-10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-7-3-5-8(2)6-4-7;1-6-4-5-7(2)8(6)3;2*1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4;2*1-3-4-2/h3-10H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;2*3-4H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3/q;;;+1
• InChIKey: CADBSRJFUNTYAN-UHFFFAOYSA-N
• XLogP: 48.89
• TPSA: 202.41 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 5
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2773.19
LogP ≤ 5	48.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene?

The IUPAC name of but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene (CID 158137578) is but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene.

What is the SMILES notation for but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene?

The canonical SMILES for but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene is CC#CC.CC=CC.Cc1cc2c(C)c3sc(C)cc3c(C)c2s1.Cc1cc2sc(C)cc2s1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(-c2cccc3c2ns[n+]3C)c2nsnc12.Cc1ccc(C)c2cscc12.Cc1ccc(C)c2nsnc12.Cc1ccc(C)cc1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1sc(-c2sc(C)c3ccccc23)c2ccccc12.Cc1sc(-c2sc(C)c3cnncc23)c2cnncc12.Cc1sc(-c2sc(C)c3nccnc23)c2nccnc12.

What is the InChIKey of but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene?

The InChIKey is CADBSRJFUNTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14S2.2C14H10N4S2.C14H11N4S2.C14H14S2.C10H10S2.C10H10S.C8H8N2S.C8H8S2.C8H10.C7H11N.C6H8O.C6H8S.C5H7NS.C4H8.C4H6/c1-11-13-7-3-5-9-15(13)17(19-11)18-16-10-6-4-8-14(16)12(2)20-18;1-7-9-3-15-17-5-11(9)13(19-7)14-12-6-18-16-4-10(12)8(2)20-14;1-7-9-11(17-5-3-15-9)13(19-7)14-12-10(8(2)20-14)16-4-6-18-12;1-8-6-7-10(14-12(8)15-19-16-14)9-4-3-5-11-13(9)17-20-18(11)2;1-7-5-11-9(3)14-12(6-8(2)16-14)10(4)13(11)15-7;1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-7-3-4-8(2)10-6-11-5-9(7)10;1-5-3-4-6(2)8-7(5)9-11-10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-7-3-5-8(2)6-4-7;1-6-4-5-7(2)8(6)3;2*1-5-3-4-6(2)7-5;1-4-3-6-5(2)7-4;2*1-3-4-2/h3-10H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-4H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;2*3-4H,1-2H3;3H,1-2H3;3-4H,1-2H3;1-2H3/q;;;+1;;;;;;;;;;;;.

What are the key properties of but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene?

but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene has a molecular weight of 2773.19 g/mol, XLogP of 48.89, 5 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for but-2-ene;but-2-yne;4,7-dimethyl-2,1,3-benzothiadiazole;4,7-dimethyl-2-benzothiophene;2,5-dimethylfuran;2,5-dimethyl-1,3-thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;7-methyl-4-(1-methyl-2,1,3-benzothiadiazol-1-ium-4-yl)-2,1,3-benzothiadiazole;1-methyl-3-(3-methyl-2-benzothiophen-1-yl)-2-benzothiophene;7-methyl-5-(7-methylthieno[3,4-b]pyrazin-5-yl)thieno[3,4-b]pyrazine;7-methyl-5-(7-methylthieno[3,4-d]pyridazin-5-yl)thieno[3,4-d]pyridazine;2-methyl-5-(5-methylthiophen-2-yl)thiophene;2,4,6,8-tetramethylthieno[2,3-f][1]benzothiole;1,2,5-trimethylpyrrole;1,4-xylene is sourced from PubChem (CID 158137578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).