2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole

C16H10S3 — CID 12964104

IUPAC2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole
SMILESC(=C/c1cc2c(ccc3sccc32)s1)\c1cccs1
InChIInChI=1S/C16H10S3/c1-2-11(17-8-1)3-4-12-10-14-13-7-9-18-15(13)5-6-16(14)19-12/h1-10H/b4-3+
InChIKeyMYJFTBWZXPXZQA-ONEGZZNKSA-N
MW298.46 g/mol
LogP6.35
Rot. Bonds2

About 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole

2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole (PubChem CID 12964104) has the molecular formula C16H10S3 and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole
PubChem CID12964104
Molecular FormulaC16H10S3
Molecular Weight298.46 g/mol
Exact Mass297.99
IUPAC Name2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole
SMILESC(=C/c1cc2c(ccc3sccc32)s1)\c1cccs1
InChIInChI=1S/C16H10S3/c1-2-11(17-8-1)3-4-12-10-14-13-7-9-18-15(13)5-6-16(14)19-12/h1-10H/b4-3+
InChIKeyMYJFTBWZXPXZQA-ONEGZZNKSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole
CID 102445389
2-(4-thieno[3,2-e][1]benzothiol-2-ylphenyl)thieno[3,2-e][1]benzothiole
CID 143769804
7-methyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411635
thieno[3,2-e][1]benzothiole-2-carbonitrile
CID 102479264
(E)-2-thiophen-2-ylethenol
CID 89297537
2-[(E)-2-phenylethenyl]benzo[e][1]benzothiole
CID 13128318
2-[(E)-1,2-diphenyl-2-thieno[3,2-e][1]benzothiol-2-ylethenyl]thieno[3,2-e][1]benzothiole
CID 101335692
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole?
The IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole (CID 12964104) is 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole.
What is the SMILES notation for 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole?
The canonical SMILES for 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole is C(=C/c1cc2c(ccc3sccc32)s1)\c1cccs1.
What is the InChIKey of 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole?
The InChIKey is MYJFTBWZXPXZQA-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H10S3/c1-2-11(17-8-1)3-4-12-10-14-13-7-9-18-15(13)5-6-16(14)19-12/h1-10H/b4-3+.
What are the key properties of 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole?
2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole has a molecular weight of 298.46 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole is sourced from PubChem (CID 12964104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).