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87527-79-5 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-[2-(4-nitrophenyl)propyl]-
CAS No: 87527-79-5 Catalog No: AG004DFZ MDL No:
Product Description
Catalog Number:
AG004DFZ
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-[2-(4-nitrophenyl)propyl]-
CAS Number:
87527-79-5
Molecular Formula:
C12H14N4O2S
Molecular Weight:
278.3302
IUPAC Name:
N-methyl-5-[2-(4-nitrophenyl)propyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H14N4O2S/c1-8(7-11-14-15-12(13-2)19-11)9-3-5-10(6-4-9)16(17)18/h3-6,8H,7H2,1-2H3,(H,13,15)
InChI Key:
LBIKENMBCZUVSQ-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CC(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.33g/mol
Monoisotopic Mass:
278.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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