3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene

C10H12Br2S — CID 102835800

IUPAC3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
SMILESCc1sc(C(Br)C2CCC2)cc1Br
InChIInChI=1S/C10H12Br2S/c1-6-8(11)5-9(13-6)10(12)7-3-2-4-7/h5,7,10H,2-4H2,1H3
InChIKeyFUZAWEQBOOFKTQ-UHFFFAOYSA-N
MW324.08 g/mol
LogP5.06
Rot. Bonds2

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

3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene (PubChem CID 102835800) has the molecular formula C10H12Br2S and a molecular weight of 324.08 g/mol. Its IUPAC name is 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
PubChem CID102835800
Molecular FormulaC10H12Br2S
Molecular Weight324.08 g/mol
Exact Mass321.90
IUPAC Name3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
SMILESCc1sc(C(Br)C2CCC2)cc1Br
InChIInChI=1S/C10H12Br2S/c1-6-8(11)5-9(13-6)10(12)7-3-2-4-7/h5,7,10H,2-4H2,1H3
InChIKeyFUZAWEQBOOFKTQ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.08
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-3-bromo-2-methylthiophene
CID 102836034
5-[7-bicyclo[4.1.0]heptanyl(bromo)methyl]-3-bromo-2-methylthiophene
CID 102836130
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412
3-bromo-5-[bromo(cyclooctyl)methyl]-2-chlorothiophene
CID 102836764
5-[bromo(cycloheptyl)methyl]-2-chloro-3-methylthiophene
CID 102765001
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107178270
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2-[bromo(cyclopentyl)methyl]-5-methylthiophene
CID 63435697
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827092
1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 102839739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene (CID 102835800) is 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene is Cc1sc(C(Br)C2CCC2)cc1Br.
What is the InChIKey of 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene?
The InChIKey is FUZAWEQBOOFKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2S/c1-6-8(11)5-9(13-6)10(12)7-3-2-4-7/h5,7,10H,2-4H2,1H3.
What are the key properties of 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene?
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene has a molecular weight of 324.08 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene is sourced from PubChem (CID 102835800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).