Home Other Building Blocks (3,4-dimethoxyphenyl)thiourea

(3,4-dimethoxyphenyl)thiourea

CAS No.:
65069-52-5
Catalog Number:
AG019KWN
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
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Product Description
Catalog Number:
AG019KWN
Chemical Name:
(3,4-dimethoxyphenyl)thiourea
CAS Number:
65069-52-5
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD00022166
IUPAC Name:
(3,4-dimethoxyphenyl)thiourea
InChI:
InChI=1S/C9H12N2O2S/c1-12-7-4-3-6(11-9(10)14)5-8(7)13-2/h3-5H,1-2H3,(H3,10,11,14)
InChI Key:
VMKQIIHXIOEFLH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)NC(=S)N
NSC Number:
99408
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties