2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene

C9H3Br4ClS2 — CID 102836981

IUPAC2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
SMILESClc1sc(C(Br)c2cc(Br)c(Br)s2)cc1Br
InChIInChI=1S/C9H3Br4ClS2/c10-3-1-5(15-8(3)13)7(12)6-2-4(11)9(14)16-6/h1-2,7H
InChIKeyQKSMWFWKLDEVOA-UHFFFAOYSA-N
MW530.33 g/mol
LogP7.23
Rot. Bonds2

About 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene

2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene (PubChem CID 102836981) has the molecular formula C9H3Br4ClS2 and a molecular weight of 530.33 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
PubChem CID102836981
Molecular FormulaC9H3Br4ClS2
Molecular Weight530.33 g/mol
Exact Mass525.61
IUPAC Name2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
SMILESClc1sc(C(Br)c2cc(Br)c(Br)s2)cc1Br
InChIInChI=1S/C9H3Br4ClS2/c10-3-1-5(15-8(3)13)7(12)6-2-4(11)9(14)16-6/h1-2,7H
InChIKeyQKSMWFWKLDEVOA-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.33
LogP ≤ 57.23
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-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
CID 102836792
2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
CID 106689189
3-bromo-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
CID 106855734
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
2,3-dibromo-5-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
3-bromo-5-[bromo-(4-methylsulfanylphenyl)methyl]-2-chlorothiophene
CID 102837148

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene (CID 102836981) is 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene is Clc1sc(C(Br)c2cc(Br)c(Br)s2)cc1Br.
What is the InChIKey of 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene?
The InChIKey is QKSMWFWKLDEVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br4ClS2/c10-3-1-5(15-8(3)13)7(12)6-2-4(11)9(14)16-6/h1-2,7H.
What are the key properties of 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene?
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene has a molecular weight of 530.33 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 102836981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).