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21123-47-7 | N2-(4-Chlorophenyl)-1,3,4-thiadiazole-2,5-diamine
CAS No: 21123-47-7 Catalog No: AG01F9D9 MDL No:
Product Description
Catalog Number:
AG01F9D9
Chemical Name:
N2-(4-Chlorophenyl)-1,3,4-thiadiazole-2,5-diamine
CAS Number:
21123-47-7
Molecular Formula:
C8H7ClN4S
Molecular Weight:
226.6860
IUPAC Name:
2-N-(4-chlorophenyl)-1,3,4-thiadiazole-2,5-diamine
InChI:
InChI=1S/C8H7ClN4S/c9-5-1-3-6(4-2-5)11-8-13-12-7(10)14-8/h1-4H,(H2,10,12)(H,11,13)
InChI Key:
NEIFCGOCRPXVJK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1nnc(s1)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.682g/mol
Monoisotopic Mass:
226.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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