4-thiophen-2-ylbenzoyl chloride

C22H14Cl2O2S2 — CID 158319353

IUPAC4-thiophen-2-ylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2cccs2)cc1.O=C(Cl)c1ccc(-c2cccs2)cc1
InChIInChI=1S/2C11H7ClOS/c2*12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h2*1-7H
InChIKeyGOQOILZJMQYUTD-UHFFFAOYSA-N
MW445.39 g/mol
LogP7.59
Rot. Bonds4

About 4-thiophen-2-ylbenzoyl chloride

4-thiophen-2-ylbenzoyl chloride (PubChem CID 158319353) has the molecular formula C22H14Cl2O2S2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 4-thiophen-2-ylbenzoyl chloride.

Molecular Properties

Compound Name4-thiophen-2-ylbenzoyl chloride
PubChem CID158319353
Molecular FormulaC22H14Cl2O2S2
Molecular Weight445.39 g/mol
Exact Mass443.98
IUPAC Name4-thiophen-2-ylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2cccs2)cc1.O=C(Cl)c1ccc(-c2cccs2)cc1
InChIInChI=1S/2C11H7ClOS/c2*12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h2*1-7H
InChIKeyGOQOILZJMQYUTD-UHFFFAOYSA-N
XLogP7.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
2-cyclopropyl-1-(4-thiophen-2-ylphenyl)ethanone
CID 156849368
N-ethyl-N-methyl-4-thiophen-2-ylbenzamide
CID 141207941
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
2-hydroxy-5-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 102462555
(4-thiophen-2-ylphenyl) acetate
CID 18387761
N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbenzoyl chloride?
The IUPAC name of 4-thiophen-2-ylbenzoyl chloride (CID 158319353) is 4-thiophen-2-ylbenzoyl chloride.
What is the SMILES notation for 4-thiophen-2-ylbenzoyl chloride?
The canonical SMILES for 4-thiophen-2-ylbenzoyl chloride is O=C(Cl)c1ccc(-c2cccs2)cc1.O=C(Cl)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 4-thiophen-2-ylbenzoyl chloride?
The InChIKey is GOQOILZJMQYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7ClOS/c2*12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h2*1-7H.
What are the key properties of 4-thiophen-2-ylbenzoyl chloride?
4-thiophen-2-ylbenzoyl chloride has a molecular weight of 445.39 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbenzoyl chloride is sourced from PubChem (CID 158319353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).