2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene

C12H10BrClS — CID 103404648

IUPAC2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
SMILESCc1csc(C(Br)c2ccccc2)c1Cl
InChIInChI=1S/C12H10BrClS/c1-8-7-15-12(11(8)14)10(13)9-5-3-2-4-6-9/h2-7,10H,1H3
InChIKeyMGLIZGCDOAGFPJ-UHFFFAOYSA-N
MW301.64 g/mol
LogP5.19
Rot. Bonds2

About 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene

2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene (PubChem CID 103404648) has the molecular formula C12H10BrClS and a molecular weight of 301.64 g/mol. Its IUPAC name is 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene.

Molecular Properties

Compound Name2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
PubChem CID103404648
Molecular FormulaC12H10BrClS
Molecular Weight301.64 g/mol
Exact Mass299.94
IUPAC Name2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
SMILESCc1csc(C(Br)c2ccccc2)c1Cl
InChIInChI=1S/C12H10BrClS/c1-8-7-15-12(11(8)14)10(13)9-5-3-2-4-6-9/h2-7,10H,1H3
InChIKeyMGLIZGCDOAGFPJ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.64
LogP ≤ 55.19
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-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-chloro-4-methylthiophene
CID 103404811
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
CID 103406638
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404833
2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
CID 63437840
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
2-[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404628
2-[1-bromo-2-(3-chlorophenyl)ethyl]-3-chloro-4-methylthiophene
CID 103405768
3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(3-chlorophenyl)propan-1-ol
CID 103406591
2-[2-(3-bromophenyl)-1-chloroethyl]-3-chloro-4-methylthiophene
CID 103405712
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene?
The IUPAC name of 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene (CID 103404648) is 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene.
What is the SMILES notation for 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene?
The canonical SMILES for 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene is Cc1csc(C(Br)c2ccccc2)c1Cl.
What is the InChIKey of 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene?
The InChIKey is MGLIZGCDOAGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClS/c1-8-7-15-12(11(8)14)10(13)9-5-3-2-4-6-9/h2-7,10H,1H3.
What are the key properties of 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene?
2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene has a molecular weight of 301.64 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene is sourced from PubChem (CID 103404648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).