3-bromo-2-chloro-5-(chloromethyl)thiophene

C5H3BrCl2S — CID 102836266

IUPAC3-bromo-2-chloro-5-(chloromethyl)thiophene
SMILESClCc1cc(Br)c(Cl)s1
InChIInChI=1S/C5H3BrCl2S/c6-4-1-3(2-7)9-5(4)8/h1H,2H2
InChIKeyJPRCENJCMQTBGD-UHFFFAOYSA-N
MW245.96 g/mol
LogP3.90
Rot. Bonds1

About 3-bromo-2-chloro-5-(chloromethyl)thiophene

3-bromo-2-chloro-5-(chloromethyl)thiophene (PubChem CID 102836266) has the molecular formula C5H3BrCl2S and a molecular weight of 245.96 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(chloromethyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(chloromethyl)thiophene
PubChem CID102836266
Molecular FormulaC5H3BrCl2S
Molecular Weight245.96 g/mol
Exact Mass243.85
IUPAC Name3-bromo-2-chloro-5-(chloromethyl)thiophene
SMILESClCc1cc(Br)c(Cl)s1
InChIInChI=1S/C5H3BrCl2S/c6-4-1-3(2-7)9-5(4)8/h1H,2H2
InChIKeyJPRCENJCMQTBGD-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.96
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(chloromethyl)thiophene?
The IUPAC name of 3-bromo-2-chloro-5-(chloromethyl)thiophene (CID 102836266) is 3-bromo-2-chloro-5-(chloromethyl)thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-(chloromethyl)thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-(chloromethyl)thiophene is ClCc1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-5-(chloromethyl)thiophene?
The InChIKey is JPRCENJCMQTBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrCl2S/c6-4-1-3(2-7)9-5(4)8/h1H,2H2.
What are the key properties of 3-bromo-2-chloro-5-(chloromethyl)thiophene?
3-bromo-2-chloro-5-(chloromethyl)thiophene has a molecular weight of 245.96 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(chloromethyl)thiophene is sourced from PubChem (CID 102836266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).