Home Aminos 1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-

1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-

CAS No.:
33509-43-2
Catalog Number:
AG00I6LL
Molecular Formula:
C7H12N4OS
Molecular Weight:
200.2614
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Product Description
Catalog Number:
AG00I6LL
Chemical Name:
1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-
CAS Number:
33509-43-2
Molecular Formula:
C7H12N4OS
Molecular Weight:
200.2614
MDL Number:
MFCD00225752
IUPAC Name:
4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
InChI:
InChI=1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)
InChI Key:
OFKAVNQBCRJBJE-UHFFFAOYSA-N
SMILES:
Nn1c(S)nnc(c1=O)C(C)(C)C
EC Number:
251-548-4
UNII:
M0G5E4GKE3
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.073g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.26g/mol
Monoisotopic Mass:
200.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties