Home Aminos 2-amino-4-(phenylsulfanyl)butanoic acid

2-amino-4-(phenylsulfanyl)butanoic acid

CAS No.:
52162-05-7
Catalog Number:
AG01BCAR
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
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Product Description
Catalog Number:
AG01BCAR
Chemical Name:
2-amino-4-(phenylsulfanyl)butanoic acid
CAS Number:
52162-05-7
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD17281630
IUPAC Name:
2-amino-4-phenylsulfanylbutanoic acid
InChI:
InChI=1S/C10H13NO2S/c11-9(10(12)13)6-7-14-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
InChI Key:
CXRJWCGBHXIRIE-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CCSc1ccccc1
NSC Number:
140113
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties