Home Other Building Blocks 3-(9H-purin-6-ylsulfanyl)propanoic acid

3-(9H-purin-6-ylsulfanyl)propanoic acid

CAS No.:
608-10-6
Catalog Number:
AG01C319
Molecular Formula:
C8H8N4O2S
Molecular Weight:
224.2397
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Product Description
Catalog Number:
AG01C319
Chemical Name:
3-(9H-purin-6-ylsulfanyl)propanoic acid
CAS Number:
608-10-6
Molecular Formula:
C8H8N4O2S
Molecular Weight:
224.2397
MDL Number:
MFCD01017157
IUPAC Name:
3-(7H-purin-6-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C8H8N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)
InChI Key:
CSOKIZRBAMNJDO-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1ncnc2c1nc[nH]2
UNII:
U5WO03O9P8
NSC Number:
22242
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.037g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.238g/mol
Monoisotopic Mass:
224.037g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties