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

C10H7Br3S2 — CID 107965052

IUPAC3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
SMILESCc1sc(C(Br)c2csc(Br)c2)cc1Br
InChIInChI=1S/C10H7Br3S2/c1-5-7(11)3-8(15-5)10(13)6-2-9(12)14-4-6/h2-4,10H,1H3
InChIKeyUUWIBIXDRLCKAG-UHFFFAOYSA-N
MW431.01 g/mol
LogP6.13
Rot. Bonds2

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

3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene (PubChem CID 107965052) has the molecular formula C10H7Br3S2 and a molecular weight of 431.01 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
PubChem CID107965052
Molecular FormulaC10H7Br3S2
Molecular Weight431.01 g/mol
Exact Mass427.75
IUPAC Name3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
SMILESCc1sc(C(Br)c2csc(Br)c2)cc1Br
InChIInChI=1S/C10H7Br3S2/c1-5-7(11)3-8(15-5)10(13)6-2-9(12)14-4-6/h2-4,10H,1H3
InChIKeyUUWIBIXDRLCKAG-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.01
LogP ≤ 56.13
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-[bromo-(3,5-dibromophenyl)methyl]-2-methylthiophene
CID 107981023
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
5-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
CID 107964861
3-bromo-5-[bromo-(3,4,5-trifluorophenyl)methyl]-2-methylthiophene
CID 102835931
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
3-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-2-methylthiophene
CID 102835918
3-bromo-5-[bromo-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835829
2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene
CID 107964928
3-bromo-5-[bromo-(3-methoxy-4-methylphenyl)methyl]-2-methylthiophene
CID 102835860
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2-bromo-4-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964668
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene (CID 107965052) is 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene is Cc1sc(C(Br)c2csc(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene?
The InChIKey is UUWIBIXDRLCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br3S2/c1-5-7(11)3-8(15-5)10(13)6-2-9(12)14-4-6/h2-4,10H,1H3.
What are the key properties of 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene?
3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene has a molecular weight of 431.01 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene is sourced from PubChem (CID 107965052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).