Home Halogens 5-chlorothieno[2,3-d][1,2,3]thiadiazole-6-carboxylic acid

5-chlorothieno[2,3-d][1,2,3]thiadiazole-6-carboxylic acid

CAS No.:
192878-32-3
Catalog Number:
AG01EK6Q
Molecular Formula:
C5HClN2O2S2
Molecular Weight:
220.6566
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Product Description
Catalog Number:
AG01EK6Q
Chemical Name:
5-chlorothieno[2,3-d][1,2,3]thiadiazole-6-carboxylic acid
CAS Number:
192878-32-3
Molecular Formula:
C5HClN2O2S2
Molecular Weight:
220.6566
MDL Number:
MFCD04037516
IUPAC Name:
5-chlorothieno[2,3-d]thiadiazole-6-carboxylic acid
InChI:
InChI=1S/C5HClN2O2S2/c6-3-1(5(9)10)2-4(11-3)7-8-12-2/h(H,9,10)
InChI Key:
SULMCWUDFGQREH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)sc2c1snn2
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.917g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.645g/mol
Monoisotopic Mass:
219.917g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties