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921766-27-0

921766-27-0 | Thiourea, N-[(4-hydroxy-3-methoxyphenyl)methyl]-N'-(phenylmethyl)-

CAS No: 921766-27-0 Catalog No: AG006GKS MDL No:

Product Description

Catalog Number:
AG006GKS
Chemical Name:
Thiourea, N-[(4-hydroxy-3-methoxyphenyl)methyl]-N'-(phenylmethyl)-
CAS Number:
921766-27-0
Molecular Formula:
C16H18N2O2S
Molecular Weight:
302.3913
IUPAC Name:
1-benzyl-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea
InChI:
InChI=1S/C16H18N2O2S/c1-20-15-9-13(7-8-14(15)19)11-18-16(21)17-10-12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3,(H2,17,18,21)
InChI Key:
OJNZZJNMNYWUHR-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=S)NCc2ccccc2)ccc1O

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.109g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
302.392g/mol
Monoisotopic Mass:
302.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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