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139420-59-0 | 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)-
CAS No: 139420-59-0 Catalog No: AG001AZW MDL No:
Product Description
Catalog Number:
AG001AZW
Chemical Name:
6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)-
CAS Number:
139420-59-0
Molecular Formula:
C9H8ClN3S
Molecular Weight:
225.6979
IUPAC Name:
5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine
InChI:
InChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChI Key:
GIAOPTGPMKOUOK-UHFFFAOYSA-N
SMILES:
NC1=NN=C(CS1)c1ccc(cc1)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.694g/mol
Monoisotopic Mass:
225.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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