3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene

C9H3BrCl4S2 — CID 107965054

IUPAC3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
SMILESClc1cc(C(Cl)c2cc(Br)c(Cl)s2)c(Cl)s1
InChIInChI=1S/C9H3BrCl4S2/c10-4-2-5(15-9(4)14)7(12)3-1-6(11)16-8(3)13/h1-2,7H
InChIKeyIXBVFHJWTFIUSW-UHFFFAOYSA-N
MW396.97 g/mol
LogP6.86
Rot. Bonds2

About 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene

3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene (PubChem CID 107965054) has the molecular formula C9H3BrCl4S2 and a molecular weight of 396.97 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
PubChem CID107965054
Molecular FormulaC9H3BrCl4S2
Molecular Weight396.97 g/mol
Exact Mass393.76
IUPAC Name3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
SMILESClc1cc(C(Cl)c2cc(Br)c(Cl)s2)c(Cl)s1
InChIInChI=1S/C9H3BrCl4S2/c10-4-2-5(15-9(4)14)7(12)3-1-6(11)16-8(3)13/h1-2,7H
InChIKeyIXBVFHJWTFIUSW-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.97
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
3-[(3-bromo-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 81476245
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 114021669
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
CID 102836630
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836567
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698
2,5-dichloro-3-[chloro-(2,3,4,5,6-pentafluorophenyl)methyl]thiophene
CID 63436337

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene?
The IUPAC name of 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene (CID 107965054) is 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene is Clc1cc(C(Cl)c2cc(Br)c(Cl)s2)c(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene?
The InChIKey is IXBVFHJWTFIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl4S2/c10-4-2-5(15-9(4)14)7(12)3-1-6(11)16-8(3)13/h1-2,7H.
What are the key properties of 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene?
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene has a molecular weight of 396.97 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene is sourced from PubChem (CID 107965054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).