2-bromo-3-chloro-5-(1-chloropropyl)thiophene

C7H7BrCl2S — CID 80533388

IUPAC2-bromo-3-chloro-5-(1-chloropropyl)thiophene
SMILESCCC(Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H7BrCl2S/c1-2-4(9)6-3-5(10)7(8)11-6/h3-4H,2H2,1H3
InChIKeyXCBKJCVAXCRPBQ-UHFFFAOYSA-N
MW274.01 g/mol
LogP4.85
Rot. Bonds2

About 2-bromo-3-chloro-5-(1-chloropropyl)thiophene

2-bromo-3-chloro-5-(1-chloropropyl)thiophene (PubChem CID 80533388) has the molecular formula C7H7BrCl2S and a molecular weight of 274.01 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-(1-chloropropyl)thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-(1-chloropropyl)thiophene
PubChem CID80533388
Molecular FormulaC7H7BrCl2S
Molecular Weight274.01 g/mol
Exact Mass271.88
IUPAC Name2-bromo-3-chloro-5-(1-chloropropyl)thiophene
SMILESCCC(Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H7BrCl2S/c1-2-4(9)6-3-5(10)7(8)11-6/h3-4H,2H2,1H3
InChIKeyXCBKJCVAXCRPBQ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
2-bromo-3-chloro-5-[1-chloro-2-(4-chlorophenyl)ethyl]thiophene
CID 80533733
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
CID 114752618
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 80531358
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-(1-chloropropyl)thiophene?
The IUPAC name of 2-bromo-3-chloro-5-(1-chloropropyl)thiophene (CID 80533388) is 2-bromo-3-chloro-5-(1-chloropropyl)thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-(1-chloropropyl)thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-(1-chloropropyl)thiophene is CCC(Cl)c1cc(Cl)c(Br)s1.
What is the InChIKey of 2-bromo-3-chloro-5-(1-chloropropyl)thiophene?
The InChIKey is XCBKJCVAXCRPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrCl2S/c1-2-4(9)6-3-5(10)7(8)11-6/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-3-chloro-5-(1-chloropropyl)thiophene?
2-bromo-3-chloro-5-(1-chloropropyl)thiophene has a molecular weight of 274.01 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-(1-chloropropyl)thiophene is sourced from PubChem (CID 80533388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).