3-(2,3,5-trichlorophenyl)thiophene

C10H5Cl3S — CID 130088556

IUPAC3-(2,3,5-trichlorophenyl)thiophene
SMILESClc1cc(Cl)c(Cl)c(-c2ccsc2)c1
InChIInChI=1S/C10H5Cl3S/c11-7-3-8(6-1-2-14-5-6)10(13)9(12)4-7/h1-5H
InChIKeyKJATXXZVBGTPIB-UHFFFAOYSA-N
MW263.58 g/mol
LogP5.38
Rot. Bonds1

About 3-(2,3,5-trichlorophenyl)thiophene

3-(2,3,5-trichlorophenyl)thiophene (PubChem CID 130088556) has the molecular formula C10H5Cl3S and a molecular weight of 263.58 g/mol. Its IUPAC name is 3-(2,3,5-trichlorophenyl)thiophene.

Molecular Properties

Compound Name3-(2,3,5-trichlorophenyl)thiophene
PubChem CID130088556
Molecular FormulaC10H5Cl3S
Molecular Weight263.58 g/mol
Exact Mass261.92
IUPAC Name3-(2,3,5-trichlorophenyl)thiophene
SMILESClc1cc(Cl)c(Cl)c(-c2ccsc2)c1
InChIInChI=1S/C10H5Cl3S/c11-7-3-8(6-1-2-14-5-6)10(13)9(12)4-7/h1-5H
InChIKeyKJATXXZVBGTPIB-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
4,6-dichloro-5-thiophen-3-ylpyrimidine
CID 138643167
1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
CID 101423965
2-chloro-5-fluoro-4-thiophen-3-ylphenol
CID 130507254
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
CID 134627061
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
CID 174411937
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
[(2R)-5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl]methanamine
CID 129364417
(5-chloro-2-methyl-7-thiophen-3-yl-3H-1-benzofuran-2-yl)methanamine
CID 15942449
4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
CID 79438292

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trichlorophenyl)thiophene?
The IUPAC name of 3-(2,3,5-trichlorophenyl)thiophene (CID 130088556) is 3-(2,3,5-trichlorophenyl)thiophene.
What is the SMILES notation for 3-(2,3,5-trichlorophenyl)thiophene?
The canonical SMILES for 3-(2,3,5-trichlorophenyl)thiophene is Clc1cc(Cl)c(Cl)c(-c2ccsc2)c1.
What is the InChIKey of 3-(2,3,5-trichlorophenyl)thiophene?
The InChIKey is KJATXXZVBGTPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3S/c11-7-3-8(6-1-2-14-5-6)10(13)9(12)4-7/h1-5H.
What are the key properties of 3-(2,3,5-trichlorophenyl)thiophene?
3-(2,3,5-trichlorophenyl)thiophene has a molecular weight of 263.58 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trichlorophenyl)thiophene is sourced from PubChem (CID 130088556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).