Home Other Building Blocks 2-METHOXY-5-METHYLPHENYLTHIOUREA

2-METHOXY-5-METHYLPHENYLTHIOUREA

CAS No.:
88686-29-7
Catalog Number:
AG003S9R
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
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Product Description
Catalog Number:
AG003S9R
Chemical Name:
2-METHOXY-5-METHYLPHENYLTHIOUREA
CAS Number:
88686-29-7
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD00041174
IUPAC Name:
(2-methoxy-5-methylphenyl)thiourea
InChI:
InChI=1S/C9H12N2OS/c1-6-3-4-8(12-2)7(5-6)11-9(10)13/h3-5H,1-2H3,(H3,10,11,13)
InChI Key:
IPKUQBKZOAIUOC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=S)N)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties