Home Other Building Blocks 3-[(carbamoylmethyl)sulfanyl]propanoic acid

3-[(carbamoylmethyl)sulfanyl]propanoic acid

CAS No.:
111035-51-9
Catalog Number:
AG019LEZ
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
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Product Description
Catalog Number:
AG019LEZ
Chemical Name:
3-[(carbamoylmethyl)sulfanyl]propanoic acid
CAS Number:
111035-51-9
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
MDL Number:
MFCD09971379
IUPAC Name:
3-(2-amino-2-oxoethyl)sulfanylpropanoic acid
InChI:
InChI=1S/C5H9NO3S/c6-4(7)3-10-2-1-5(8)9/h1-3H2,(H2,6,7)(H,8,9)
InChI Key:
NPYLQGLCFWKKQV-UHFFFAOYSA-N
SMILES:
OC(=O)CCSCC(=O)N
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.191g/mol
Monoisotopic Mass:
163.03g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties