Home Other Building Blocks BUTTPARK 58\40-77

BUTTPARK 58\40-77

CAS No.:
58064-65-6
Catalog Number:
AG00ES5P
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
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Product Description
Catalog Number:
AG00ES5P
Chemical Name:
BUTTPARK 58\40-77
CAS Number:
58064-65-6
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
MDL Number:
MFCD00158828
IUPAC Name:
1-benzamido-3-methylthiourea
InChI:
InChI=1S/C9H11N3OS/c1-10-9(14)12-11-8(13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)(H2,10,12,14)
InChI Key:
BHOWZSDKGPSCST-UHFFFAOYSA-N
SMILES:
CNC(=S)NNC(=O)c1ccccc1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties