2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane

C24H36S4 — CID 161142248

IUPAC2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
SMILESCC.CC.CC.CC.Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1
InChIInChI=1S/C16H12S4.4C2H6/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12;4*1-2/h3-8H,1-2H3;4*1-2H3
InChIKeyUNPGMXUQUUFJKN-UHFFFAOYSA-N
MW452.82 g/mol
LogP11.14
Rot. Bonds2

About 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane (PubChem CID 161142248) has the molecular formula C24H36S4 and a molecular weight of 452.82 g/mol. Its IUPAC name is 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane.

Molecular Properties

Compound Name2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
PubChem CID161142248
Molecular FormulaC24H36S4
Molecular Weight452.82 g/mol
Exact Mass452.17
IUPAC Name2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
SMILESCC.CC.CC.CC.Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1
InChIInChI=1S/C16H12S4.4C2H6/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12;4*1-2/h3-8H,1-2H3;4*1-2H3
InChIKeyUNPGMXUQUUFJKN-UHFFFAOYSA-N
XLogP11.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.82
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
CID 89495689
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
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
6,17-bis(5-methylthiophen-2-yl)-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
CID 122645046
2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
CID 144628300
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
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614
2,7-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiole-4,5-dione
CID 118422573
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-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane?
The IUPAC name of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane (CID 161142248) is 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane.
What is the SMILES notation for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane?
The canonical SMILES for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane is CC.CC.CC.CC.Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1.
What is the InChIKey of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane?
The InChIKey is UNPGMXUQUUFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12S4.4C2H6/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12;4*1-2/h3-8H,1-2H3;4*1-2H3.
What are the key properties of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane?
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane has a molecular weight of 452.82 g/mol, XLogP of 11.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane is sourced from PubChem (CID 161142248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).