2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene

C9H3Br4ClS2 — CID 80538783

IUPAC2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
SMILESClC(c1cc(Br)c(Br)s1)c1cc(Br)sc1Br
InChIInChI=1S/C9H3Br4ClS2/c10-4-2-5(15-9(4)13)7(14)3-1-6(11)16-8(3)12/h1-2,7H
InChIKeyJWWBMWLMSGODHU-UHFFFAOYSA-N
MW530.33 g/mol
LogP7.19
Rot. Bonds2

About 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene

2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene (PubChem CID 80538783) has the molecular formula C9H3Br4ClS2 and a molecular weight of 530.33 g/mol. Its IUPAC name is 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
PubChem CID80538783
Molecular FormulaC9H3Br4ClS2
Molecular Weight530.33 g/mol
Exact Mass525.61
IUPAC Name2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
SMILESClC(c1cc(Br)c(Br)s1)c1cc(Br)sc1Br
InChIInChI=1S/C9H3Br4ClS2/c10-4-2-5(15-9(4)13)7(14)3-1-6(11)16-8(3)12/h1-2,7H
InChIKeyJWWBMWLMSGODHU-UHFFFAOYSA-N
XLogP7.19
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 ≤ 57.19
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

2,5-dibromo-3-[(4-bromo-5-methylthiophen-2-yl)-chloromethyl]thiophene
CID 107965047
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747
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
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385
2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
CID 80534504
2,3-dibromo-5-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]thiophene
CID 80538718
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
CID 63796992
2,3-dibromo-5-[chloro-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 80538929
2,3-dibromo-5-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]thiophene
CID 80538927
2,3-dibromo-5-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]thiophene
CID 80538678
2,3-dibromo-5-[chloro-(4-propan-2-ylphenyl)methyl]thiophene
CID 80534087

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene (CID 80538783) is 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene is ClC(c1cc(Br)c(Br)s1)c1cc(Br)sc1Br.
What is the InChIKey of 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene?
The InChIKey is JWWBMWLMSGODHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br4ClS2/c10-4-2-5(15-9(4)13)7(14)3-1-6(11)16-8(3)12/h1-2,7H.
What are the key properties of 2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene?
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene has a molecular weight of 530.33 g/mol, XLogP of 7.19, 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-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene is sourced from PubChem (CID 80538783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).