Home Aminos Methyl 4-amino-2-methoxy-5-thiocyanobenzoate

Methyl 4-amino-2-methoxy-5-thiocyanobenzoate

CAS No.:
59168-56-8
Catalog Number:
AG00E8PZ
Molecular Formula:
C10H10N2O3S
Molecular Weight:
238.2630
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Product Description
Catalog Number:
AG00E8PZ
Chemical Name:
Methyl 4-amino-2-methoxy-5-thiocyanobenzoate
CAS Number:
59168-56-8
Molecular Formula:
C10H10N2O3S
Molecular Weight:
238.2630
MDL Number:
MFCD04973623
IUPAC Name:
methyl 4-amino-2-methoxy-5-thiocyanatobenzoate
InChI:
InChI=1S/C10H10N2O3S/c1-14-8-4-7(12)9(16-5-11)3-6(8)10(13)15-2/h3-4H,12H2,1-2H3
InChI Key:
IRGMWPMUTWZIIJ-UHFFFAOYSA-N
SMILES:
N#CSc1cc(C(=O)OC)c(cc1N)OC
EC Number:
261-639-0
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.261g/mol
Monoisotopic Mass:
238.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties