Home Other Building Blocks 2-Thioxo-2,3-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

2-Thioxo-2,3-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

CAS No.:
67831-84-9
Catalog Number:
AG00FCMH
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$317
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Product Description
Catalog Number:
AG00FCMH
Chemical Name:
2-Thioxo-2,3-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CAS Number:
67831-84-9
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
MDL Number:
MFCD12196502
IUPAC Name:
2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
InChI Key:
QCZHCRBHXAFBDJ-UHFFFAOYSA-N
SMILES:
Sc1[nH]c(=O)c2c(n1)[nH]cc2
NSC Number:
25976
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Xanthine oxidase-activated prodrugs of thymidine phosphorylase inhibitors. European journal of medicinal chemistry 20080601
Properties