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915920-35-3

915920-35-3 | 5-[1-(4-ETHYLPHENOXY)ETHYL]-1,3,4-THIADIAZOL-2-AMINE

CAS No: 915920-35-3 Catalog No: AG006GLF MDL No:MFCD06496608

Product Description

Catalog Number:
AG006GLF
Chemical Name:
5-[1-(4-ETHYLPHENOXY)ETHYL]-1,3,4-THIADIAZOL-2-AMINE
CAS Number:
915920-35-3
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
MDL Number:
MFCD06496608
IUPAC Name:
5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H15N3OS/c1-3-9-4-6-10(7-5-9)16-8(2)11-14-15-12(13)17-11/h4-8H,3H2,1-2H3,(H2,13,15)
InChI Key:
YNXINTUMCSZUOG-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OC(c1nnc(s1)N)C

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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