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87527-76-2 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-(2-phenylpropyl)-
CAS No: 87527-76-2 Catalog No: AG004DG0 MDL No:
Product Description
Catalog Number:
AG004DG0
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-(2-phenylpropyl)-
CAS Number:
87527-76-2
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
IUPAC Name:
N-methyl-5-(2-phenylpropyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H15N3S/c1-9(10-6-4-3-5-7-10)8-11-14-15-12(13-2)16-11/h3-7,9H,8H2,1-2H3,(H,13,15)
InChI Key:
FRVBDGVZVACVPX-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CC(c1ccccc1)C
Properties
Complexity:
206
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:
1
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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