2-[(E)-2-phenylethenyl]thiophene

C12H10S — CID 1241314

IUPAC2-[(E)-2-phenylethenyl]thiophene
SMILESC(=C/c1cccs1)\c1ccccc1
InChIInChI=1S/C12H10S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-10H/b9-8+
InChIKeyDPAPGSNLWBQIGV-CMDGGOBGSA-N
MW186.28 g/mol
LogP3.92
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]thiophene

2-[(E)-2-phenylethenyl]thiophene (PubChem CID 1241314) has the molecular formula C12H10S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]thiophene
PubChem CID1241314
Molecular FormulaC12H10S
Molecular Weight186.28 g/mol
Exact Mass186.05
IUPAC Name2-[(E)-2-phenylethenyl]thiophene
SMILESC(=C/c1cccs1)\c1ccccc1
InChIInChI=1S/C12H10S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-10H/b9-8+
InChIKeyDPAPGSNLWBQIGV-CMDGGOBGSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-phenylethenyl]thiophene (CID 1241314) is 2-[(E)-2-phenylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-phenylethenyl]thiophene is C(=C/c1cccs1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]thiophene?
The InChIKey is DPAPGSNLWBQIGV-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H10S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-10H/b9-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]thiophene?
2-[(E)-2-phenylethenyl]thiophene has a molecular weight of 186.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]thiophene is sourced from PubChem (CID 1241314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).