2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile

C16H10N2S3 — CID 146403920

IUPAC2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile
SMILESCc1ccsc1-c1sc(-c2sccc2C)c(C#N)c1C#N
InChIInChI=1S/C16H10N2S3/c1-9-3-5-19-13(9)15-11(7-17)12(8-18)16(21-15)14-10(2)4-6-20-14/h3-6H,1-2H3
InChIKeyBQIFJLFVZBMQQG-UHFFFAOYSA-N
MW326.47 g/mol
LogP5.57
Rot. Bonds2

About 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile

2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile (PubChem CID 146403920) has the molecular formula C16H10N2S3 and a molecular weight of 326.47 g/mol. Its IUPAC name is 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile
PubChem CID146403920
Molecular FormulaC16H10N2S3
Molecular Weight326.47 g/mol
Exact Mass326.00
IUPAC Name2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile
SMILESCc1ccsc1-c1sc(-c2sccc2C)c(C#N)c1C#N
InChIInChI=1S/C16H10N2S3/c1-9-3-5-19-13(9)15-11(7-17)12(8-18)16(21-15)14-10(2)4-6-20-14/h3-6H,1-2H3
InChIKeyBQIFJLFVZBMQQG-UHFFFAOYSA-N
XLogP5.57
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2':5',2''-Terthiophenyl)-5-carbonitrile
CID 184181
2,2':3',2''-Terthiophene
CID 395532
3,2':5',3''-Terthiophene
CID 157751
4-(2,2'-Bithiophen-5-YL)benzonitrile
CID 23156964
2,2':4',2''-Terthiophene
CID 395533
2,3':4',2''-Terthiophene
CID 395534
2,2':5',2''-Terthiophene, 3',4'-dibutyl-
CID 4120443
Thiophene, 2-[(5-phenyl[2,2'-bithiophen]-4-yl)methyl]-
CID 377738
3-(5-Ethylsulfanylthiophen-3-yl)benzonitrile
CID 44392660
2-[1-[5-(1,1-Dicyanoprop-1-en-2-yl)-3-methyl-4-phenylthieno[2,3-b]thiophen-2-yl]ethylidene]propanedinitrile
CID 118724498
3,3''-Dioctyl-2,2':5',2''-terthiophene
CID 10576414
3,3''-Dihexyl-2,2':5',2''-terthiophene
CID 14916420

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile?
The IUPAC name of 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile (CID 146403920) is 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile?
The canonical SMILES for 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile is Cc1ccsc1-c1sc(-c2sccc2C)c(C#N)c1C#N.
What is the InChIKey of 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile?
The InChIKey is BQIFJLFVZBMQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S3/c1-9-3-5-19-13(9)15-11(7-17)12(8-18)16(21-15)14-10(2)4-6-20-14/h3-6H,1-2H3.
What are the key properties of 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile?
2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile has a molecular weight of 326.47 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile is sourced from PubChem (CID 146403920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).