5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene

C10H7BrCl2S2 — CID 102764894

IUPAC5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(Cl)s2)sc1Cl
InChIInChI=1S/C10H7BrCl2S2/c1-5-4-7(15-10(5)13)9(11)6-2-3-8(12)14-6/h2-4,9H,1H3
InChIKeyXEQJADSXUXLFEL-UHFFFAOYSA-N
MW342.11 g/mol
LogP5.91
Rot. Bonds2

About 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102764894) has the molecular formula C10H7BrCl2S2 and a molecular weight of 342.11 g/mol. Its IUPAC name is 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
PubChem CID102764894
Molecular FormulaC10H7BrCl2S2
Molecular Weight342.11 g/mol
Exact Mass339.85
IUPAC Name5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(Cl)s2)sc1Cl
InChIInChI=1S/C10H7BrCl2S2/c1-5-4-7(15-10(5)13)9(11)6-2-3-8(12)14-6/h2-4,9H,1H3
InChIKeyXEQJADSXUXLFEL-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.11
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
2-[bromo-(3-methylphenyl)methyl]-5-chlorothiophene
CID 63441697
4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
CID 102764917
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene (CID 102764894) is 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene is Cc1cc(C(Br)c2ccc(Cl)s2)sc1Cl.
What is the InChIKey of 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is XEQJADSXUXLFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2S2/c1-5-4-7(15-10(5)13)9(11)6-2-3-8(12)14-6/h2-4,9H,1H3.
What are the key properties of 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 342.11 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).