thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid

C10H7ClO3S2 — CID 122587949

IUPACthiophene-2-carbonyl chloride;thiophene-2-carboxylic acid
SMILESO=C(Cl)c1cccs1.O=C(O)c1cccs1
InChIInChI=1S/C5H3ClOS.C5H4O2S/c2*6-5(7)4-2-1-3-8-4/h1-3H;1-3H,(H,6,7)
InChIKeyRETHZTUCOHALFS-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.57
Rot. Bonds2

About thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid

thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid (PubChem CID 122587949) has the molecular formula C10H7ClO3S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid.

Molecular Properties

Compound Namethiophene-2-carbonyl chloride;thiophene-2-carboxylic acid
PubChem CID122587949
Molecular FormulaC10H7ClO3S2
Molecular Weight274.75 g/mol
Exact Mass273.95
IUPAC Namethiophene-2-carbonyl chloride;thiophene-2-carboxylic acid
SMILESO=C(Cl)c1cccs1.O=C(O)c1cccs1
InChIInChI=1S/C5H3ClOS.C5H4O2S/c2*6-5(7)4-2-1-3-8-4/h1-3H;1-3H,(H,6,7)
InChIKeyRETHZTUCOHALFS-UHFFFAOYSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
(E)-but-2-enedioic acid;thiophene-2-carboxylic acid
CID 172841521
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
calcium;bis(thiophene-2-carboxylate);tris(thiophene-2-carboxylic acid)
CID 158464117
2-phenylethylbenzene;thiophene-2-carboxylic acid
CID 175841387
(4-chlorophenyl)boronic acid;thiophene-2-carboxylic acid
CID 174850224
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
sodium thiophene-2-carboxylate
CID 23672340
(E)-3-chloro-3-thiophen-2-ylprop-2-enal
CID 79002205

Frequently Asked Questions

What is the IUPAC name of thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid?
The IUPAC name of thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid (CID 122587949) is thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid.
What is the SMILES notation for thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid?
The canonical SMILES for thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid is O=C(Cl)c1cccs1.O=C(O)c1cccs1.
What is the InChIKey of thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid?
The InChIKey is RETHZTUCOHALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClOS.C5H4O2S/c2*6-5(7)4-2-1-3-8-4/h1-3H;1-3H,(H,6,7).
What are the key properties of thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid?
thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid has a molecular weight of 274.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid is sourced from PubChem (CID 122587949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).