2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan

C10H8Br2OS — CID 65283596

IUPAC2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
SMILESCc1cc(Br)c(C(Br)c2ccco2)s1
InChIInChI=1S/C10H8Br2OS/c1-6-5-7(11)10(14-6)9(12)8-3-2-4-13-8/h2-5,9H,1H3
InChIKeyAZACUUXVLJBPHM-UHFFFAOYSA-N
MW336.05 g/mol
LogP4.90
Rot. Bonds2

About 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan

2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan (PubChem CID 65283596) has the molecular formula C10H8Br2OS and a molecular weight of 336.05 g/mol. Its IUPAC name is 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan.

Molecular Properties

Compound Name2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
PubChem CID65283596
Molecular FormulaC10H8Br2OS
Molecular Weight336.05 g/mol
Exact Mass333.87
IUPAC Name2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
SMILESCc1cc(Br)c(C(Br)c2ccco2)s1
InChIInChI=1S/C10H8Br2OS/c1-6-5-7(11)10(14-6)9(12)8-3-2-4-13-8/h2-5,9H,1H3
InChIKeyAZACUUXVLJBPHM-UHFFFAOYSA-N
XLogP4.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 54.90
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

(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
3-bromo-2-[bromo-(3-bromophenyl)methyl]-5-methylthiophene
CID 65278245
3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65278669
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
3-bromo-2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-methylthiophene
CID 65278876
3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 65278348
5-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278298
3-bromo-2-(1-bromo-2-cyclopropylpropyl)-5-methylthiophene
CID 83149091
3-bromo-2-[bromo-(1-phenylcyclopropyl)methyl]-5-methylthiophene
CID 65283245
3-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-5-methylthiophene
CID 65278713
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan?
The IUPAC name of 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan (CID 65283596) is 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan.
What is the SMILES notation for 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan?
The canonical SMILES for 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan is Cc1cc(Br)c(C(Br)c2ccco2)s1.
What is the InChIKey of 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan?
The InChIKey is AZACUUXVLJBPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2OS/c1-6-5-7(11)10(14-6)9(12)8-3-2-4-13-8/h2-5,9H,1H3.
What are the key properties of 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan?
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan has a molecular weight of 336.05 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan is sourced from PubChem (CID 65283596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).