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1275607-95-8 | 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 6-ethyl-1,2,3,7-tetrahydro-2-thioxo-
CAS No: 1275607-95-8 Catalog No: AG000X5S MDL No:MFCD19441192
Product Description
Catalog Number:
AG000X5S
Chemical Name:
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 6-ethyl-1,2,3,7-tetrahydro-2-thioxo-
CAS Number:
1275607-95-8
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD19441192
IUPAC Name:
6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C8H9N3OS/c1-2-4-3-5-6(9-4)10-8(13)11-7(5)12/h3H,2H2,1H3,(H3,9,10,11,12,13)
InChI Key:
AZWSZNQCOPDGSS-UHFFFAOYSA-N
SMILES:
CCc1[nH]c2c(c1)c(=O)[nH]c(=S)[nH]2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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