Home Other Building Blocks 3-(pyrimidin-2-ylsulfanyl)propanoic acid

3-(pyrimidin-2-ylsulfanyl)propanoic acid

CAS No.:
919466-99-2
Catalog Number:
AG019VAB
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
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Product Description
Catalog Number:
AG019VAB
Chemical Name:
3-(pyrimidin-2-ylsulfanyl)propanoic acid
CAS Number:
919466-99-2
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD09929628
IUPAC Name:
3-pyrimidin-2-ylsulfanylpropanoic acid
InChI:
InChI=1S/C7H8N2O2S/c10-6(11)2-5-12-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,10,11)
InChI Key:
IXIVLKHHLBUYME-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1ncccn1
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties