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915923-06-7

915923-06-7 | 5-[2-(3-METHYLPHENOXY)ETHYL]-1,3,4-THIADIAZOL-2-AMINE

CAS No: 915923-06-7 Catalog No: AG006GJ8 MDL No:MFCD08691879

Product Description

Catalog Number:
AG006GJ8
Chemical Name:
5-[2-(3-METHYLPHENOXY)ETHYL]-1,3,4-THIADIAZOL-2-AMINE
CAS Number:
915923-06-7
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
MDL Number:
MFCD08691879
IUPAC Name:
5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3OS/c1-8-3-2-4-9(7-8)15-6-5-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3,(H2,12,14)
InChI Key:
PMBYIFQKPOWPDW-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OCCc1nnc(s1)N

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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