Home Aminos 3-(Allylthio)-6-(2-aminophenyl)-1,2,4-triazin-5-ol

3-(Allylthio)-6-(2-aminophenyl)-1,2,4-triazin-5-ol

CAS No.:
353516-57-1
Catalog Number:
AG00C60U
Molecular Formula:
C12H12N4OS
Molecular Weight:
260.3149
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00C60U
Chemical Name:
3-(Allylthio)-6-(2-aminophenyl)-1,2,4-triazin-5-ol
CAS Number:
353516-57-1
Molecular Formula:
C12H12N4OS
Molecular Weight:
260.3149
MDL Number:
MFCD02376948
IUPAC Name:
6-(2-aminophenyl)-3-prop-2-enylsulfanyl-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C12H12N4OS/c1-2-7-18-12-14-11(17)10(15-16-12)8-5-3-4-6-9(8)13/h2-6H,1,7,13H2,(H,14,16,17)
InChI Key:
XOVJHOVIHOYRMH-UHFFFAOYSA-N
SMILES:
C=CCSc1nnc(c(n1)O)c1ccccc1N
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.073g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.315g/mol
Monoisotopic Mass:
260.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties