5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene

C10H12BrClS — CID 102764964

IUPAC5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)C2CC2C)sc1Cl
InChIInChI=1S/C10H12BrClS/c1-5-3-7(5)9(11)8-4-6(2)10(12)13-8/h4-5,7,9H,3H2,1-2H3
InChIKeyQSVYALCLILRTPO-UHFFFAOYSA-N
MW279.63 g/mol
LogP4.80
Rot. Bonds2

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

5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102764964) has the molecular formula C10H12BrClS and a molecular weight of 279.63 g/mol. Its IUPAC name is 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
PubChem CID102764964
Molecular FormulaC10H12BrClS
Molecular Weight279.63 g/mol
Exact Mass277.95
IUPAC Name5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)C2CC2C)sc1Cl
InChIInChI=1S/C10H12BrClS/c1-5-3-7(5)9(11)8-4-6(2)10(12)13-8/h4-5,7,9H,3H2,1-2H3
InChIKeyQSVYALCLILRTPO-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.63
LogP ≤ 54.80
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-[bromo(cycloheptyl)methyl]-2-chloro-3-methylthiophene
CID 102765001
5-[2-adamantyl(bromo)methyl]-2-chloro-3-methylthiophene
CID 102765040
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methyloxolane
CID 102764987
5-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-chloro-3-methylthiophene
CID 102764636
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296959
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474
4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene (CID 102764964) is 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene is Cc1cc(C(Br)C2CC2C)sc1Cl.
What is the InChIKey of 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is QSVYALCLILRTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClS/c1-5-3-7(5)9(11)8-4-6(2)10(12)13-8/h4-5,7,9H,3H2,1-2H3.
What are the key properties of 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 279.63 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).