2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene

C10H6Br3ClS2 — CID 107965047

IUPAC2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
SMILESCc1sc(C(Cl)c2cc(Br)sc2Br)cc1Br
InChIInChI=1S/C10H6Br3ClS2/c1-4-6(11)3-7(15-4)9(14)5-2-8(12)16-10(5)13/h2-3,9H,1H3
InChIKeyBCZFWTCPPCUQEZ-UHFFFAOYSA-N
MW465.46 g/mol
LogP6.73
Rot. Bonds2

About 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene

2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene (PubChem CID 107965047) has the molecular formula C10H6Br3ClS2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
PubChem CID107965047
Molecular FormulaC10H6Br3ClS2
Molecular Weight465.46 g/mol
Exact Mass461.71
IUPAC Name2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
SMILESCc1sc(C(Cl)c2cc(Br)sc2Br)cc1Br
InChIInChI=1S/C10H6Br3ClS2/c1-4-6(11)3-7(15-4)9(14)5-2-8(12)16-10(5)13/h2-3,9H,1H3
InChIKeyBCZFWTCPPCUQEZ-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.46
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
2,5-dibromo-3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964535
2-[chloro-(2,5-dibromothiophen-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63436385
2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 55198340
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955
2-(4-bromo-5-methylthiophen-2-yl)-2-chloroacetonitrile
CID 102843700
3-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 107959212
3-bromo-5-[chloro-(4-methylsulfanylphenyl)methyl]-2-methylthiophene
CID 102835661
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
CID 63796992
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747
3-bromo-5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835325
3-bromo-5-[(3-bromo-4-methoxyphenyl)-chloromethyl]-2-methylthiophene
CID 102835361

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene (CID 107965047) is 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene is Cc1sc(C(Cl)c2cc(Br)sc2Br)cc1Br.
What is the InChIKey of 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene?
The InChIKey is BCZFWTCPPCUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br3ClS2/c1-4-6(11)3-7(15-4)9(14)5-2-8(12)16-10(5)13/h2-3,9H,1H3.
What are the key properties of 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene?
2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene has a molecular weight of 465.46 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene is sourced from PubChem (CID 107965047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).