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

C11H10Br2S2 — CID 102835807

IUPAC3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
SMILESCc1ccsc1C(Br)c1cc(Br)c(C)s1
InChIInChI=1S/C11H10Br2S2/c1-6-3-4-14-11(6)10(13)9-5-8(12)7(2)15-9/h3-5,10H,1-2H3
InChIKeyVIRJKQIDVLYNIG-UHFFFAOYSA-N
MW366.14 g/mol
LogP5.67
Rot. Bonds2

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

3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene (PubChem CID 102835807) has the molecular formula C11H10Br2S2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
PubChem CID102835807
Molecular FormulaC11H10Br2S2
Molecular Weight366.14 g/mol
Exact Mass363.86
IUPAC Name3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
SMILESCc1ccsc1C(Br)c1cc(Br)c(C)s1
InChIInChI=1S/C11H10Br2S2/c1-6-3-4-14-11(6)10(13)9-5-8(12)7(2)15-9/h3-5,10H,1-2H3
InChIKeyVIRJKQIDVLYNIG-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.14
LogP ≤ 55.67
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

2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
CID 107965052
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-3-methylthiophene
CID 65433577
3-bromo-5-[bromo-(3,5-dibromophenyl)methyl]-2-methylthiophene
CID 107981023
3-bromo-5-[bromo-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835829
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742
2,3-dibromo-5-[bromo-(3-ethylthiophen-2-yl)methyl]thiophene
CID 80534116
3-bromo-5-[bromo-(3-methoxy-4-methylphenyl)methyl]-2-methylthiophene
CID 102835860

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene (CID 102835807) is 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene is Cc1ccsc1C(Br)c1cc(Br)c(C)s1.
What is the InChIKey of 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene?
The InChIKey is VIRJKQIDVLYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2S2/c1-6-3-4-14-11(6)10(13)9-5-8(12)7(2)15-9/h3-5,10H,1-2H3.
What are the key properties of 3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene?
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene has a molecular weight of 366.14 g/mol, XLogP of 5.67, 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-(3-methylthiophen-2-yl)methyl]-2-methylthiophene is sourced from PubChem (CID 102835807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).