2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole

C18H12S2 — CID 102445389

IUPAC2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole
SMILESC(=C/c1cc2c(ccc3ccccc32)s1)\c1cccs1
InChIInChI=1S/C18H12S2/c1-2-6-16-13(4-1)7-10-18-17(16)12-15(20-18)9-8-14-5-3-11-19-14/h1-12H/b9-8+
InChIKeyCRKPGRGHNMNRCX-CMDGGOBGSA-N
MW292.43 g/mol
LogP6.29
Rot. Bonds2

About 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole

2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole (PubChem CID 102445389) has the molecular formula C18H12S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole.

Molecular Properties

Compound Name2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole
PubChem CID102445389
Molecular FormulaC18H12S2
Molecular Weight292.43 g/mol
Exact Mass292.04
IUPAC Name2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole
SMILESC(=C/c1cc2c(ccc3ccccc32)s1)\c1cccs1
InChIInChI=1S/C18H12S2/c1-2-6-16-13(4-1)7-10-18-17(16)12-15(20-18)9-8-14-5-3-11-19-14/h1-12H/b9-8+
InChIKeyCRKPGRGHNMNRCX-CMDGGOBGSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-thiophen-2-ylethenyl]thieno[3,2-e][1]benzothiole
CID 12964104
2-[(E)-2-phenylethenyl]benzo[e][1]benzothiole
CID 13128318
benzo[e][1]benzothiole-2-carbaldehyde
CID 13128317
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
7-but-1-enyl-6-thiapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15,17,19-decaene
CID 123811488
2-methylbenzo[e][1]benzothiole
CID 13101461
benzene;benzo[e][1]benzothiole
CID 174845416
N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 4670195
2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol
CID 136732457
2-bromonaphtho[2,1-e][1]benzothiole
CID 141339940
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole?
The IUPAC name of 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole (CID 102445389) is 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole.
What is the SMILES notation for 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole?
The canonical SMILES for 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole is C(=C/c1cc2c(ccc3ccccc32)s1)\c1cccs1.
What is the InChIKey of 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole?
The InChIKey is CRKPGRGHNMNRCX-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H12S2/c1-2-6-16-13(4-1)7-10-18-17(16)12-15(20-18)9-8-14-5-3-11-19-14/h1-12H/b9-8+.
What are the key properties of 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole?
2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole has a molecular weight of 292.43 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole is sourced from PubChem (CID 102445389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).