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Home Other Building Blocks 1-benzyl-3,3-dimethylthiourea

1-benzyl-3,3-dimethylthiourea

CAS No.:
2741-14-2
Catalog Number:
AG019M6I
Molecular Formula:
C10H14N2S
Molecular Weight:
194.2966
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Product Description
Catalog Number:
AG019M6I
Chemical Name:
1-benzyl-3,3-dimethylthiourea
CAS Number:
2741-14-2
Molecular Formula:
C10H14N2S
Molecular Weight:
194.2966
MDL Number:
MFCD00087259
IUPAC Name:
3-benzyl-1,1-dimethylthiourea
InChI:
InChI=1S/C10H14N2S/c1-12(2)10(13)11-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,13)
InChI Key:
XZGRYNLIECOIAV-UHFFFAOYSA-N
SMILES:
CN(C(=S)NCc1ccccc1)C
NSC Number:
157321
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.088g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.296g/mol
Monoisotopic Mass:
194.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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