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35313-95-2 | 1,3,4-Thiadiazol-2-amine,N-ethyl-5-(3,4,5-trimethoxyphenyl)-
CAS No: 35313-95-2 Catalog No: AG007DPT MDL No:
Product Description
Catalog Number:
AG007DPT
Chemical Name:
1,3,4-Thiadiazol-2-amine,N-ethyl-5-(3,4,5-trimethoxyphenyl)-
CAS Number:
35313-95-2
Molecular Formula:
C13H17N3O3S
Molecular Weight:
295.3574
IUPAC Name:
N-ethyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C13H17N3O3S/c1-5-14-13-16-15-12(20-13)8-6-9(17-2)11(19-4)10(7-8)18-3/h6-7H,5H2,1-4H3,(H,14,16)
InChI Key:
OHISBGLPBCUMAJ-UHFFFAOYSA-N
SMILES:
CCNc1nnc(s1)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.357g/mol
Monoisotopic Mass:
295.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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