2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene

C10H7Cl3S2 — CID 107965730

IUPAC2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
SMILESClc1cc(C(Cl)Cc2ccsc2)c(Cl)s1
InChIInChI=1S/C10H7Cl3S2/c11-8(3-6-1-2-14-5-6)7-4-9(12)15-10(7)13/h1-2,4-5,8H,3H2
InChIKeyOBTPYISOSYGILS-UHFFFAOYSA-N
MW297.66 g/mol
LogP5.64
Rot. Bonds3

About 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene

2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene (PubChem CID 107965730) has the molecular formula C10H7Cl3S2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
PubChem CID107965730
Molecular FormulaC10H7Cl3S2
Molecular Weight297.66 g/mol
Exact Mass295.91
IUPAC Name2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
SMILESClc1cc(C(Cl)Cc2ccsc2)c(Cl)s1
InChIInChI=1S/C10H7Cl3S2/c11-8(3-6-1-2-14-5-6)7-4-9(12)15-10(7)13/h1-2,4-5,8H,3H2
InChIKeyOBTPYISOSYGILS-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.66
LogP ≤ 55.64
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

3-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79205323
3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
CID 63520029
3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
CID 63016253
3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078640
3-(1-chloro-2-thiophen-3-ylethyl)-2,4,5-trimethylfuran
CID 65152447
3-(2-fluoropropyl)thiophene
CID 74766003
2,5-dichloro-3-[chloro-(3-chlorothiophen-2-yl)methyl]thiophene
CID 80642391
3-(2,2-dibromoethyl)thiophene
CID 174416053
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene?
The IUPAC name of 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene (CID 107965730) is 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene.
What is the SMILES notation for 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene?
The canonical SMILES for 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene is Clc1cc(C(Cl)Cc2ccsc2)c(Cl)s1.
What is the InChIKey of 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene?
The InChIKey is OBTPYISOSYGILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3S2/c11-8(3-6-1-2-14-5-6)7-4-9(12)15-10(7)13/h1-2,4-5,8H,3H2.
What are the key properties of 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene?
2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene has a molecular weight of 297.66 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene is sourced from PubChem (CID 107965730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).