2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene

C10H7BrCl2OS2 — CID 81125250

IUPAC2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
SMILESCOc1csc(C(Cl)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C10H7BrCl2OS2/c1-14-5-2-7(15-4-5)9(13)8-3-6(12)10(11)16-8/h2-4,9H,1H3
InChIKeyNBSSQNVEWHDXOC-UHFFFAOYSA-N
MW358.11 g/mol
LogP5.56
Rot. Bonds3

About 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene

2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene (PubChem CID 81125250) has the molecular formula C10H7BrCl2OS2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
PubChem CID81125250
Molecular FormulaC10H7BrCl2OS2
Molecular Weight358.11 g/mol
Exact Mass355.85
IUPAC Name2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
SMILESCOc1csc(C(Cl)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C10H7BrCl2OS2/c1-14-5-2-7(15-4-5)9(13)8-3-6(12)10(11)16-8/h2-4,9H,1H3
InChIKeyNBSSQNVEWHDXOC-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene
CID 105057182
2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
CID 103404857
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
2-[chloro-(4-propan-2-yloxyphenyl)methyl]-4-methoxythiophene
CID 81123738
2-[chloro-(4-ethylphenyl)methyl]-4-methoxythiophene
CID 81123181
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
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-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene (CID 81125250) is 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene is COc1csc(C(Cl)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene?
The InChIKey is NBSSQNVEWHDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2OS2/c1-14-5-2-7(15-4-5)9(13)8-3-6(12)10(11)16-8/h2-4,9H,1H3.
What are the key properties of 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene?
2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene has a molecular weight of 358.11 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 81125250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).