5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene

C14H16S2 — CID 168735016

IUPAC5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene
SMILESCc1cc(/C=C/c2cc(C)c(C)s2)sc1C
InChIInChI=1S/C14H16S2/c1-9-7-13(15-11(9)3)5-6-14-8-10(2)12(4)16-14/h5-8H,1-4H3/b6-5+
InChIKeyMJYSUVTWCWVXKF-AATRIKPKSA-N
MW248.42 g/mol
LogP5.21
Rot. Bonds2

About 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene

5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene (PubChem CID 168735016) has the molecular formula C14H16S2 and a molecular weight of 248.42 g/mol. Its IUPAC name is 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene
PubChem CID168735016
Molecular FormulaC14H16S2
Molecular Weight248.42 g/mol
Exact Mass248.07
IUPAC Name5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene
SMILESCc1cc(/C=C/c2cc(C)c(C)s2)sc1C
InChIInChI=1S/C14H16S2/c1-9-7-13(15-11(9)3)5-6-14-8-10(2)12(4)16-14/h5-8H,1-4H3/b6-5+
InChIKeyMJYSUVTWCWVXKF-AATRIKPKSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-5-[(E)-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]thiophene
CID 23386693
[4-[4-(4,5-dimethylthiophen-2-yl)buta-1,3-dienyl]phenyl]methanol
CID 72648019
5-tert-butyl-2,3-dimethylthiophene
CID 59772802
3-(5-bromo-4-methylthiophen-2-yl)prop-2-enenitrile
CID 169484564
(E)-3-(4-bromo-5-methylthiophen-2-yl)prop-2-en-1-amine
CID 102844441
(4,5-dimethylthiophen-2-yl)methanone
CID 143851227
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
2,6-bis[3-methyl-5-[2-(4-methylphenyl)ethenyl]thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 59745437
1-(4,5-dimethylthiophen-2-yl)-3-methylbut-2-en-1-one
CID 115780774
2-bromo-5-ethenyl-3-methylthiophene
CID 118245747
4-fluoro-5-methylthiophene-2-carbaldehyde
CID 82417818
4,7-bis[3-methyl-5-[(E)-2-(4-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 59141238

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene (CID 168735016) is 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene is Cc1cc(/C=C/c2cc(C)c(C)s2)sc1C.
What is the InChIKey of 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene?
The InChIKey is MJYSUVTWCWVXKF-AATRIKPKSA-N. The full InChI is InChI=1S/C14H16S2/c1-9-7-13(15-11(9)3)5-6-14-8-10(2)12(4)16-14/h5-8H,1-4H3/b6-5+.
What are the key properties of 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene?
5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene has a molecular weight of 248.42 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene is sourced from PubChem (CID 168735016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).