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

C10H6Br4S2 — CID 80534570

IUPAC2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
SMILESCc1cc(C(Br)c2cc(Br)c(Br)s2)sc1Br
InChIInChI=1S/C10H6Br4S2/c1-4-2-6(15-9(4)13)8(12)7-3-5(11)10(14)16-7/h2-3,8H,1H3
InChIKeyPDQOSPNTNFXIRF-UHFFFAOYSA-N
MW509.91 g/mol
LogP6.89
Rot. Bonds2

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

2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene (PubChem CID 80534570) has the molecular formula C10H6Br4S2 and a molecular weight of 509.91 g/mol. Its IUPAC name is 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
PubChem CID80534570
Molecular FormulaC10H6Br4S2
Molecular Weight509.91 g/mol
Exact Mass505.66
IUPAC Name2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
SMILESCc1cc(C(Br)c2cc(Br)c(Br)s2)sc1Br
InChIInChI=1S/C10H6Br4S2/c1-4-2-6(15-9(4)13)8(12)7-3-5(11)10(14)16-7/h2-3,8H,1H3
InChIKeyPDQOSPNTNFXIRF-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.91
LogP ≤ 56.89
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-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538848
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607
2,3-dibromo-5-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 80538722
2-bromo-5-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-methylthiophene
CID 79996585
2,3-dibromo-5-[bromo-(2-methylnaphthalen-1-yl)methyl]thiophene
CID 81432825
2-bromo-5-[bromo-(4-methylnaphthalen-1-yl)methyl]-3-methylthiophene
CID 79996492
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
(4,5-dibromothiophen-2-yl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 80538693
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene (CID 80534570) is 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene is Cc1cc(C(Br)c2cc(Br)c(Br)s2)sc1Br.
What is the InChIKey of 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene?
The InChIKey is PDQOSPNTNFXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br4S2/c1-4-2-6(15-9(4)13)8(12)7-3-5(11)10(14)16-7/h2-3,8H,1H3.
What are the key properties of 2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene?
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene has a molecular weight of 509.91 g/mol, XLogP of 6.89, 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-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 80534570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).