2-thiophen-2-ylprop-2-enoyl chloride

C7H5ClOS — CID 22601205

IUPAC2-thiophen-2-ylprop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1cccs1
InChIInChI=1S/C7H5ClOS/c1-5(7(8)9)6-3-2-4-10-6/h2-4H,1H2
InChIKeyXPUCYWSKNLDRMS-UHFFFAOYSA-N
MW172.64 g/mol
LogP2.53
Rot. Bonds2

About 2-thiophen-2-ylprop-2-enoyl chloride

2-thiophen-2-ylprop-2-enoyl chloride (PubChem CID 22601205) has the molecular formula C7H5ClOS and a molecular weight of 172.64 g/mol. Its IUPAC name is 2-thiophen-2-ylprop-2-enoyl chloride.

Molecular Properties

Compound Name2-thiophen-2-ylprop-2-enoyl chloride
PubChem CID22601205
Molecular FormulaC7H5ClOS
Molecular Weight172.64 g/mol
Exact Mass171.97
IUPAC Name2-thiophen-2-ylprop-2-enoyl chloride
SMILESC=C(C(=O)Cl)c1cccs1
InChIInChI=1S/C7H5ClOS/c1-5(7(8)9)6-3-2-4-10-6/h2-4H,1H2
InChIKeyXPUCYWSKNLDRMS-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.64
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid
CID 122587949
(2-chloro-1-phenoxyprop-2-enyl) thiophene-2-carboxylate
CID 164853027
ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
2-chloro-N'-(1-thiophen-2-ylethenyl)benzohydrazide
CID 4158254
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
CID 140844707
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
1-thiophen-2-ylethenyl N,N-dimethylcarbamate
CID 102228105
oxido(thiophene-2-carbonyl)azanium
CID 141173864

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylprop-2-enoyl chloride?
The IUPAC name of 2-thiophen-2-ylprop-2-enoyl chloride (CID 22601205) is 2-thiophen-2-ylprop-2-enoyl chloride.
What is the SMILES notation for 2-thiophen-2-ylprop-2-enoyl chloride?
The canonical SMILES for 2-thiophen-2-ylprop-2-enoyl chloride is C=C(C(=O)Cl)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylprop-2-enoyl chloride?
The InChIKey is XPUCYWSKNLDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClOS/c1-5(7(8)9)6-3-2-4-10-6/h2-4H,1H2.
What are the key properties of 2-thiophen-2-ylprop-2-enoyl chloride?
2-thiophen-2-ylprop-2-enoyl chloride has a molecular weight of 172.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylprop-2-enoyl chloride is sourced from PubChem (CID 22601205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).