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

C16H12S4 — CID 71014682

IUPAC2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
SMILESCc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1
InChIInChI=1S/C16H12S4/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12/h3-8H,1-2H3
InChIKeyJYRDWHLPVIBCKX-UHFFFAOYSA-N
MW332.54 g/mol
LogP7.04
Rot. Bonds2

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

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene (PubChem CID 71014682) has the molecular formula C16H12S4 and a molecular weight of 332.54 g/mol. Its IUPAC name is 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
PubChem CID71014682
Molecular FormulaC16H12S4
Molecular Weight332.54 g/mol
Exact Mass331.98
IUPAC Name2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
SMILESCc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1
InChIInChI=1S/C16H12S4/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12/h3-8H,1-2H3
InChIKeyJYRDWHLPVIBCKX-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 57.04
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;ethane
CID 161142248
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
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene (CID 71014682) is 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene is Cc1ccc(-c2cc3sc(-c4ccc(C)s4)cc3s2)s1.
What is the InChIKey of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
The InChIKey is JYRDWHLPVIBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12S4/c1-9-3-5-11(17-9)13-7-15-16(19-13)8-14(20-15)12-6-4-10(2)18-12/h3-8H,1-2H3.
What are the key properties of 2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene?
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene has a molecular weight of 332.54 g/mol, XLogP of 7.04, 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 is sourced from PubChem (CID 71014682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).