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113940-13-9 | 1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-phenyl-
CAS No: 113940-13-9 Catalog No: AG000A4S MDL No:MFCD09040600
Product Description
Catalog Number:
AG000A4S
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
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
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