Home Other Building Blocks 3-[4-(hydroxymethyl)pyrimidin-2-yl]-1lambda6-thiolane-1,1-dione

3-[4-(hydroxymethyl)pyrimidin-2-yl]-1lambda6-thiolane-1,1-dione

CAS No.:
1548085-79-5
Catalog Number:
AG01DVMB
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
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Product Description
Catalog Number:
AG01DVMB
Chemical Name:
3-[4-(hydroxymethyl)pyrimidin-2-yl]-1lambda6-thiolane-1,1-dione
CAS Number:
1548085-79-5
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD24182701
IUPAC Name:
[2-(1,1-dioxothiolan-3-yl)pyrimidin-4-yl]methanol
InChI:
InChI=1S/C9H12N2O3S/c12-5-8-1-3-10-9(11-8)7-2-4-15(13,14)6-7/h1,3,7,12H,2,4-6H2
InChI Key:
BEXHNWKGAANNDK-UHFFFAOYSA-N
SMILES:
OCc1ccnc(n1)C1CCS(=O)(=O)C1
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties