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17452-88-9 | 1,2,4-Thiadiazol-5-amine, N,N-diethyl-3-phenyl-
CAS No: 17452-88-9 Catalog No: AG001ZRR MDL No:
Product Description
Catalog Number:
AG001ZRR
Chemical Name:
1,2,4-Thiadiazol-5-amine, N,N-diethyl-3-phenyl-
CAS Number:
17452-88-9
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
IUPAC Name:
N,N-diethyl-3-phenyl-1,2,4-thiadiazol-5-amine
InChI:
InChI=1S/C12H15N3S/c1-3-15(4-2)12-13-11(14-16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChI Key:
PBEXQMGQLLHBLH-UHFFFAOYSA-N
SMILES:
CCN(c1snc(n1)c1ccccc1)CC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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