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113940-13-9,MFCD09040600
Catalog No.:AA000A20
113940-13-9 | 1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-phenyl-
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Technical Information
Catalog Number:
AA000A20
Chemical Name:
1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-phenyl-
CAS Number:
113940-13-9
Molecular Formula:
C10H8ClN3OS
Molecular Weight:
253.7080
MDL Number:
MFCD09040600
IUPAC Name:
5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
InChI:
InChI=1S/C10H8ClN3OS/c11-6-8-13-14-10(16-8)9(15)12-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)
InChI Key:
YZNYKYFTSIBGIU-UHFFFAOYSA-N
SMILES:
ClCc1nnc(s1)C(=O)Nc1ccccc1
Properties
Computed Properties
 
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.008g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.704g/mol
Monoisotopic Mass:
253.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
5-(chloromethyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide 
113940-13-9 
ZINC12505492 
AKOS022179605 
MCULE-5004720904 
NE14118 
AJ-62531 
RT-010125 
EN300-27392 
1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-phenyl- 
CID6422410 
1,3,4-Thiadiazole-2-carboxamide,5-(chloromethyl)-N-phenyl- 
YZNYKYFTSIBGIU-UHFFFAOYSA-N 
ACMC-20e97w 
AC1O4Y8C 
AC1Q3U5X 
CTK4A8525 
DTXSID80423652 
[1,3,4]Thiadiazole-2-carboxylic acid, 5-chloromethyl-, phenylamide 
Literature
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