2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene

C12H8BrClS — CID 102405051

IUPAC2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene
SMILESCl/C(=C\c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrClS/c13-12-7-6-11(15-12)10(14)8-9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyBODOCQPMBNDGFU-NTMALXAHSA-N
MW299.62 g/mol
LogP5.25
Rot. Bonds2

About 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene

2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene (PubChem CID 102405051) has the molecular formula C12H8BrClS and a molecular weight of 299.62 g/mol. Its IUPAC name is 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene
PubChem CID102405051
Molecular FormulaC12H8BrClS
Molecular Weight299.62 g/mol
Exact Mass297.92
IUPAC Name2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene
SMILESCl/C(=C\c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C12H8BrClS/c13-12-7-6-11(15-12)10(14)8-9-4-2-1-3-5-9/h1-8H/b10-8-
InChIKeyBODOCQPMBNDGFU-NTMALXAHSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.62
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
The IUPAC name of 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene (CID 102405051) is 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
The canonical SMILES for 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene is Cl/C(=C\c1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
The InChIKey is BODOCQPMBNDGFU-NTMALXAHSA-N. The full InChI is InChI=1S/C12H8BrClS/c13-12-7-6-11(15-12)10(14)8-9-4-2-1-3-5-9/h1-8H/b10-8-.
What are the key properties of 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene?
2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene has a molecular weight of 299.62 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(Z)-1-chloro-2-phenylethenyl]thiophene is sourced from PubChem (CID 102405051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).