3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene

C10H11Br2ClS — CID 131002567

IUPAC3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
SMILESCC1(CC(Br)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C10H11Br2ClS/c1-10(2-3-10)5-7(12)8-4-6(11)9(13)14-8/h4,7H,2-3,5H2,1H3
InChIKeyIUVVMZHVHCIQET-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.79
Rot. Bonds3

About 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene

3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene (PubChem CID 131002567) has the molecular formula C10H11Br2ClS and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
PubChem CID131002567
Molecular FormulaC10H11Br2ClS
Molecular Weight358.53 g/mol
Exact Mass355.86
IUPAC Name3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
SMILESCC1(CC(Br)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C10H11Br2ClS/c1-10(2-3-10)5-7(12)8-4-6(11)9(13)14-8/h4,7H,2-3,5H2,1H3
InChIKeyIUVVMZHVHCIQET-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.79
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

(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 130513429
3-bromo-5-[bromo-(3,5-dimethyl-1-adamantyl)methyl]-2-chlorothiophene
CID 102837057
3-bromo-5-[1-bromo-2-(2,6-difluorophenyl)ethyl]-2-chlorothiophene
CID 102836863
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene (CID 131002567) is 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene is CC1(CC(Br)c2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene?
The InChIKey is IUVVMZHVHCIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2ClS/c1-10(2-3-10)5-7(12)8-4-6(11)9(13)14-8/h4,7H,2-3,5H2,1H3.
What are the key properties of 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene?
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene has a molecular weight of 358.53 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene is sourced from PubChem (CID 131002567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).