2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene

C18H12S5 — CID 89495689

IUPAC2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
SMILESCc1cc2sc(-c3ccc(-c4cc5sc(C)cc5s4)s3)cc2s1
InChIInChI=1S/C18H12S5/c1-9-5-13-17(19-9)7-15(22-13)11-3-4-12(21-11)16-8-18-14(23-16)6-10(2)20-18/h3-8H,1-2H3
InChIKeyYZCCNRRBHVUFKZ-UHFFFAOYSA-N
MW388.63 g/mol
LogP8.25
Rot. Bonds2

About 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene

2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene (PubChem CID 89495689) has the molecular formula C18H12S5 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
PubChem CID89495689
Molecular FormulaC18H12S5
Molecular Weight388.63 g/mol
Exact Mass387.95
IUPAC Name2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
SMILESCc1cc2sc(-c3ccc(-c4cc5sc(C)cc5s4)s3)cc2s1
InChIInChI=1S/C18H12S5/c1-9-5-13-17(19-9)7-15(22-13)11-3-4-12(21-11)16-8-18-14(23-16)6-10(2)20-18/h3-8H,1-2H3
InChIKeyYZCCNRRBHVUFKZ-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
CID 143769844
2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
2-[5-(5-aminothieno[3,2-b]thiophen-2-yl)thiophen-2-yl]-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]terephthalic acid
CID 143843970
9,19-dimethyl-4,14-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3,13-dithia-5,15-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-dimethyl-4-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]-14-(5-methylthiophen-2-yl)-3,13-dithia-5,15-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;ethane
CID 161428955
2,9,11,18-tetramethyl-6,15-bis(2-methylthieno[3,2-b]thiophen-5-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
CID 58224242
7,16-bis(5-methylthiophen-2-yl)-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 144714716
5-(2,4-ditert-butylphenyl)-2-methylthieno[3,2-b]thiophene
CID 155308136
5-fluoro-2-methylthieno[3,2-b]thiophene
CID 129149078
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
5,10-bis(2-hexyldodecyl)-7-(2-methylthieno[3,2-b]thiophen-5-yl)-2-[2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophen-5-yl]indeno[6,5-f]indene-3,8-dione
CID 121309396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
The IUPAC name of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene (CID 89495689) is 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene.
What is the SMILES notation for 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
The canonical SMILES for 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene is Cc1cc2sc(-c3ccc(-c4cc5sc(C)cc5s4)s3)cc2s1.
What is the InChIKey of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
The InChIKey is YZCCNRRBHVUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S5/c1-9-5-13-17(19-9)7-15(22-13)11-3-4-12(21-11)16-8-18-14(23-16)6-10(2)20-18/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene?
2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene has a molecular weight of 388.63 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene is sourced from PubChem (CID 89495689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).