Home Aminos 5-amino-2-(methylsulfanyl)benzoic acid

5-amino-2-(methylsulfanyl)benzoic acid

CAS No.:
70290-39-0
Catalog Number:
AG01BIPN
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
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Product Description
Catalog Number:
AG01BIPN
Chemical Name:
5-amino-2-(methylsulfanyl)benzoic acid
CAS Number:
70290-39-0
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD12823826
IUPAC Name:
5-amino-2-methylsulfanylbenzoic acid
InChI:
InChI=1S/C8H9NO2S/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
SMVYKRHYDNFARE-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1C(=O)O)N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties