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87535-24-8 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-(3-phenylpropyl)-
CAS No: 87535-24-8 Catalog No: AG004F1M MDL No:
Product Description
Catalog Number:
AG004F1M
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-(3-phenylpropyl)-
CAS Number:
87535-24-8
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
IUPAC Name:
N-methyl-5-(3-phenylpropyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H15N3S/c1-13-12-15-14-11(16-12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)
InChI Key:
QTBSWNSWZQGELV-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)CCCc1ccccc1
Properties
Complexity:
195
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:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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