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161287-88-3

161287-88-3 | 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)thiourea

CAS No: 161287-88-3 Catalog No: AG00IXVK MDL No:MFCD00123823

Product Description

Catalog Number:
AG00IXVK
Chemical Name:
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)thiourea
CAS Number:
161287-88-3
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
MDL Number:
MFCD00123823
IUPAC Name:
1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)thiourea
InChI:
InChI=1S/C10H11N3OS/c1-6-12-8-4-3-7(5-9(8)14-6)13-10(15)11-2/h3-5H,1-2H3,(H2,11,13,15)
InChI Key:
NINZMKKXHNOYNP-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccc2c(c1)oc(n2)C

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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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