Home Carboxys 4-(2-methylphenyl)thiadiazole-5-carboxylic acid

4-(2-methylphenyl)thiadiazole-5-carboxylic acid

CAS No.:
1432259-94-3
Catalog Number:
AG01CAA1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
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Product Description
Catalog Number:
AG01CAA1
Chemical Name:
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CAS Number:
1432259-94-3
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD07377315
IUPAC Name:
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
InChI:
InChI=1S/C10H8N2O2S/c1-6-4-2-3-5-7(6)8-9(10(13)14)15-12-11-8/h2-5H,1H3,(H,13,14)
InChI Key:
AUUJRSSDFLCPAP-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1nnsc1C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties