3-(thiophen-2-ylmethyl)benzoyl chloride

C12H9ClOS — CID 175504095

IUPAC3-(thiophen-2-ylmethyl)benzoyl chloride
SMILESO=C(Cl)c1cccc(Cc2cccs2)c1
InChIInChI=1S/C12H9ClOS/c13-12(14)10-4-1-3-9(7-10)8-11-5-2-6-15-11/h1-7H,8H2
InChIKeyBVIWJEYBUFVKJH-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.72
Rot. Bonds3

About 3-(thiophen-2-ylmethyl)benzoyl chloride

3-(thiophen-2-ylmethyl)benzoyl chloride (PubChem CID 175504095) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)benzoyl chloride.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)benzoyl chloride
PubChem CID175504095
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name3-(thiophen-2-ylmethyl)benzoyl chloride
SMILESO=C(Cl)c1cccc(Cc2cccs2)c1
InChIInChI=1S/C12H9ClOS/c13-12(14)10-4-1-3-9(7-10)8-11-5-2-6-15-11/h1-7H,8H2
InChIKeyBVIWJEYBUFVKJH-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
3-(fluoromethyl)benzoyl chloride
CID 88536338
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
CID 22416732
3-(chlorosulfonylmethyl)benzoyl chloride
CID 163930770
2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
CID 54966662
methyl 2-benzamido-4-(thiophen-2-ylmethyl)benzoate
CID 174534965
methyl 3-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560942
(3-carbonochloridoylphenyl)methylcarbamic acid
CID 174223419
1-[4-(thiophen-2-ylmethyl)thiophen-2-yl]ethanone
CID 13356121
3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377
4-(thiophen-2-ylmethyl)phenol
CID 605440
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)benzoyl chloride?
The IUPAC name of 3-(thiophen-2-ylmethyl)benzoyl chloride (CID 175504095) is 3-(thiophen-2-ylmethyl)benzoyl chloride.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)benzoyl chloride?
The canonical SMILES for 3-(thiophen-2-ylmethyl)benzoyl chloride is O=C(Cl)c1cccc(Cc2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)benzoyl chloride?
The InChIKey is BVIWJEYBUFVKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c13-12(14)10-4-1-3-9(7-10)8-11-5-2-6-15-11/h1-7H,8H2.
What are the key properties of 3-(thiophen-2-ylmethyl)benzoyl chloride?
3-(thiophen-2-ylmethyl)benzoyl chloride has a molecular weight of 236.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)benzoyl chloride is sourced from PubChem (CID 175504095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).