1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene

C43H50O2S7 — CID 159601609

IUPAC1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESC.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)s1.Cc1sc(C)c2c1OCCO2.Cc1sc(C)c2ccccc12.Cc1sc(C)c2sccc12
InChIInChI=1S/C10H10S2.C10H10S.C8H10O2S.C8H8S2.C6H8S.CH4/c1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-5-7-3-4-9-8(7)6(2)10-5;1-5-3-4-6(2)7-5;/h3-6H,1-2H3;3-6H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;3-4H,1-2H3;1H4
InChIKeyMLOAPDRLTQWOOI-UHFFFAOYSA-N
MW823.34 g/mol
LogP16.33
Rot. Bonds1

About 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene

1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene (PubChem CID 159601609) has the molecular formula C43H50O2S7 and a molecular weight of 823.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
PubChem CID159601609
Molecular FormulaC43H50O2S7
Molecular Weight823.34 g/mol
Exact Mass822.19
IUPAC Name1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESC.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)s1.Cc1sc(C)c2c1OCCO2.Cc1sc(C)c2ccccc12.Cc1sc(C)c2sccc12
InChIInChI=1S/C10H10S2.C10H10S.C8H10O2S.C8H8S2.C6H8S.CH4/c1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-5-7-3-4-9-8(7)6(2)10-5;1-5-3-4-6(2)7-5;/h3-6H,1-2H3;3-6H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;3-4H,1-2H3;1H4
InChIKeyMLOAPDRLTQWOOI-UHFFFAOYSA-N
XLogP16.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.34
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene with MolForge

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Related Compounds

2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,3-dihydrothieno[3,4-b][1,4]dioxine;5-(2,6-dimethylthieno[2,3-c]thiophen-4-yl)-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;thieno[2,3-c]thiophene
CID 161152821
carbanide;3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethylthiophene;N-methylaniline;2-methyl-5-(5-methylthiophen-2-yl)thiophene;thorium(2+)
CID 158308021
5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129061507
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346
2,5-dimethylthiophene;naphthalene
CID 91607393
2-(5-methylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 118333894
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
5-methyl-7-(5-methylthiophen-2-yl)-2,3-dihydro-1-benzofuran
CID 23543547

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene (CID 159601609) is 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene is C.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(C)s1.Cc1sc(C)c2c1OCCO2.Cc1sc(C)c2ccccc12.Cc1sc(C)c2sccc12.
What is the InChIKey of 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
The InChIKey is MLOAPDRLTQWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S2.C10H10S.C8H10O2S.C8H8S2.C6H8S.CH4/c1-7-3-5-9(11-7)10-6-4-8(2)12-10;1-7-9-5-3-4-6-10(9)8(2)11-7;1-5-7-8(6(2)11-5)10-4-3-9-7;1-5-7-3-4-9-8(7)6(2)10-5;1-5-3-4-6(2)7-5;/h3-6H,1-2H3;3-6H,1-2H3;3-4H2,1-2H3;3-4H,1-2H3;3-4H,1-2H3;1H4.
What are the key properties of 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene has a molecular weight of 823.34 g/mol, XLogP of 16.33, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-benzothiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;4,6-dimethylthieno[2,3-c]thiophene;2,5-dimethylthiophene;methane;2-methyl-5-(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 159601609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).