Home Other Building Blocks Thiourea, N-(3,4-dimethylphenyl)-

Thiourea, N-(3,4-dimethylphenyl)-

CAS No.:
16738-18-4
Catalog Number:
AG001XC3
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
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Product Description
Catalog Number:
AG001XC3
Chemical Name:
Thiourea, N-(3,4-dimethylphenyl)-
CAS Number:
16738-18-4
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD00060452
IUPAC Name:
(3,4-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H12N2S/c1-6-3-4-8(5-7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChI Key:
SVVAZPFKTDKAAN-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(c(c1)C)C
NSC Number:
209927
Properties
Complexity:
170  
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:
2.1  
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