methyl 3-carbonochloridothioyloxythiophene-2-carboxylate

C7H5ClO3S2 — CID 21291808

IUPACmethyl 3-carbonochloridothioyloxythiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC(=S)Cl
InChIInChI=1S/C7H5ClO3S2/c1-10-6(9)5-4(2-3-13-5)11-7(8)12/h2-3H,1H3
InChIKeyCFHXPPJYDRWLDR-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.44
Rot. Bonds2

About methyl 3-carbonochloridothioyloxythiophene-2-carboxylate

methyl 3-carbonochloridothioyloxythiophene-2-carboxylate (PubChem CID 21291808) has the molecular formula C7H5ClO3S2 and a molecular weight of 236.70 g/mol. Its IUPAC name is methyl 3-carbonochloridothioyloxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbonochloridothioyloxythiophene-2-carboxylate
PubChem CID21291808
Molecular FormulaC7H5ClO3S2
Molecular Weight236.70 g/mol
Exact Mass235.94
IUPAC Namemethyl 3-carbonochloridothioyloxythiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC(=S)Cl
InChIInChI=1S/C7H5ClO3S2/c1-10-6(9)5-4(2-3-13-5)11-7(8)12/h2-3H,1H3
InChIKeyCFHXPPJYDRWLDR-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-carbonochloridothioyloxythiophene-2-carboxylate 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

methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate
CID 54043657
methyl 3-[8-(2-methoxycarbonylthiophen-3-yl)oxyoctoxy]thiophene-2-carboxylate
CID 11015443
methyl 3-[tert-butyl(dimethyl)silyl]oxythiophene-2-carboxylate
CID 19432955
methyl 3-(trifluoromethylsulfonyloxy)thiophene-2-carboxylate
CID 11737832
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(1-iodoethyl)thiophene-2-carboxylate
CID 54326212
methyl 3-(trideuteriomethyl)thiophene-2-carboxylate
CID 155662295
2-methoxycarbonylthiophene-3-diazonium
CID 2780248
methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate
CID 134114884
methyl 3-(2,4,5-trichlorophenyl)thiophene-2-carboxylate
CID 134634500

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbonochloridothioyloxythiophene-2-carboxylate?
The IUPAC name of methyl 3-carbonochloridothioyloxythiophene-2-carboxylate (CID 21291808) is methyl 3-carbonochloridothioyloxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-carbonochloridothioyloxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-carbonochloridothioyloxythiophene-2-carboxylate is COC(=O)c1sccc1OC(=S)Cl.
What is the InChIKey of methyl 3-carbonochloridothioyloxythiophene-2-carboxylate?
The InChIKey is CFHXPPJYDRWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3S2/c1-10-6(9)5-4(2-3-13-5)11-7(8)12/h2-3H,1H3.
What are the key properties of methyl 3-carbonochloridothioyloxythiophene-2-carboxylate?
methyl 3-carbonochloridothioyloxythiophene-2-carboxylate has a molecular weight of 236.70 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbonochloridothioyloxythiophene-2-carboxylate is sourced from PubChem (CID 21291808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).