4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene

C8H3BrCl2S2 — CID 6426302

IUPAC4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene
SMILESClc1sccc1-c1c(Br)csc1Cl
InChIInChI=1S/C8H3BrCl2S2/c9-5-3-13-8(11)6(5)4-1-2-12-7(4)10/h1-3H
InChIKeyGTIJRSOMFHCCSY-UHFFFAOYSA-N
MW314.06 g/mol
LogP5.55
Rot. Bonds1

About 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene

4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene (PubChem CID 6426302) has the molecular formula C8H3BrCl2S2 and a molecular weight of 314.06 g/mol. Its IUPAC name is 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene.

Molecular Properties

Compound Name4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene
PubChem CID6426302
Molecular FormulaC8H3BrCl2S2
Molecular Weight314.06 g/mol
Exact Mass311.82
IUPAC Name4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene
SMILESClc1sccc1-c1c(Br)csc1Cl
InChIInChI=1S/C8H3BrCl2S2/c9-5-3-13-8(11)6(5)4-1-2-12-7(4)10/h1-3H
InChIKeyGTIJRSOMFHCCSY-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.06
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene?
The IUPAC name of 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene (CID 6426302) is 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene.
What is the SMILES notation for 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene?
The canonical SMILES for 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene is Clc1sccc1-c1c(Br)csc1Cl.
What is the InChIKey of 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene?
The InChIKey is GTIJRSOMFHCCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2S2/c9-5-3-13-8(11)6(5)4-1-2-12-7(4)10/h1-3H.
What are the key properties of 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene?
4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene has a molecular weight of 314.06 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-3-(2-chlorothiophen-3-yl)thiophene is sourced from PubChem (CID 6426302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).