Home Aminos Thiocyanic acid,4-aminophenyl ester

Thiocyanic acid,4-aminophenyl ester

CAS No.:
2987-46-4
Catalog Number:
AG007K1W
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
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Product Description
Catalog Number:
AG007K1W
Chemical Name:
Thiocyanic acid,4-aminophenyl ester
CAS Number:
2987-46-4
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD00042820
IUPAC Name:
(4-aminophenyl) thiocyanate
InChI:
InChI=1S/C7H6N2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2
InChI Key:
NJYFRQQXXXRJHK-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1)N
NSC Number:
227955
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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Properties