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13146-74-2

13146-74-2 | 2H-Thiazolo[3,2-a]-1,3,5-triazine-2,4(3H)-dione, tetrahydro-8a-(1-methylethyl)-

CAS No: 13146-74-2 Catalog No: AG000W8W MDL No:

Product Description

Catalog Number:
AG000W8W
Chemical Name:
2H-Thiazolo[3,2-a]-1,3,5-triazine-2,4(3H)-dione, tetrahydro-8a-(1-methylethyl)-
CAS Number:
13146-74-2
Molecular Formula:
C8H13N3O2S
Molecular Weight:
215.2727
IUPAC Name:
8a-propan-2-yl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C8H13N3O2S/c1-5(2)8-10-6(12)9-7(13)11(8)3-4-14-8/h5H,3-4H2,1-2H3,(H2,9,10,12,13)
InChI Key:
RMGGTTVWKXYCLW-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)N2C(N1)(SCC2)C(C)C
NSC Number:
102553

Properties

Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.271g/mol
Monoisotopic Mass:
215.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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

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