3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene

C12H8BrCl3S — CID 102836292

IUPAC3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
SMILESCc1cccc(C(Cl)c2cc(Br)c(Cl)s2)c1Cl
InChIInChI=1S/C12H8BrCl3S/c1-6-3-2-4-7(10(6)14)11(15)9-5-8(13)12(16)17-9/h2-5,11H,1H3
InChIKeyRTIBGAQFKDVXLB-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.45
Rot. Bonds2

About 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene

3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene (PubChem CID 102836292) has the molecular formula C12H8BrCl3S and a molecular weight of 370.53 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
PubChem CID102836292
Molecular FormulaC12H8BrCl3S
Molecular Weight370.53 g/mol
Exact Mass367.86
IUPAC Name3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
SMILESCc1cccc(C(Cl)c2cc(Br)c(Cl)s2)c1Cl
InChIInChI=1S/C12H8BrCl3S/c1-6-3-2-4-7(10(6)14)11(15)9-5-8(13)12(16)17-9/h2-5,11H,1H3
InChIKeyRTIBGAQFKDVXLB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.45
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

2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-bromo-2-methylphenyl)-N-methylmethanamine
CID 102828340
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
CID 102836630

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene (CID 102836292) is 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene is Cc1cccc(C(Cl)c2cc(Br)c(Cl)s2)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene?
The InChIKey is RTIBGAQFKDVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3S/c1-6-3-2-4-7(10(6)14)11(15)9-5-8(13)12(16)17-9/h2-5,11H,1H3.
What are the key properties of 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene?
3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene has a molecular weight of 370.53 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene is sourced from PubChem (CID 102836292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).