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97480-60-9

97480-60-9 | N-(3,5-Dimethylphenyl)thiourea, 99%

CAS No: 97480-60-9 Catalog No: AG003SAD MDL No:MFCD00041173

Product Description

Catalog Number:
AG003SAD
Chemical Name:
N-(3,5-Dimethylphenyl)thiourea, 99%
CAS Number:
97480-60-9
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD00041173
IUPAC Name:
(3,5-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChI Key:
XOAYHDJRYDSPJZ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(C)cc(c1)C
NSC Number:
637006

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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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