2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene

C11H8BrClS2 — CID 901511

IUPAC2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene
SMILESCc1cc(C=Cc2cc(Cl)sc2Br)cs1
InChIInChI=1S/C11H8BrClS2/c1-7-4-8(6-14-7)2-3-9-5-10(13)15-11(9)12/h2-6H,1H3
InChIKeyPTSHLCWITJBDHO-UHFFFAOYSA-N
MW319.68 g/mol
LogP5.70
Rot. Bonds2

About 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene

2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene (PubChem CID 901511) has the molecular formula C11H8BrClS2 and a molecular weight of 319.68 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene
PubChem CID901511
Molecular FormulaC11H8BrClS2
Molecular Weight319.68 g/mol
Exact Mass317.89
IUPAC Name2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene
SMILESCc1cc(C=Cc2cc(Cl)sc2Br)cs1
InChIInChI=1S/C11H8BrClS2/c1-7-4-8(6-14-7)2-3-9-5-10(13)15-11(9)12/h2-6H,1H3
InChIKeyPTSHLCWITJBDHO-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.68
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene?
The IUPAC name of 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene (CID 901511) is 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene.
What is the SMILES notation for 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene?
The canonical SMILES for 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene is Cc1cc(C=Cc2cc(Cl)sc2Br)cs1.
What is the InChIKey of 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene?
The InChIKey is PTSHLCWITJBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClS2/c1-7-4-8(6-14-7)2-3-9-5-10(13)15-11(9)12/h2-6H,1H3.
What are the key properties of 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene?
2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene has a molecular weight of 319.68 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene is sourced from PubChem (CID 901511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).