4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,2,3,7-tetrahydro-2-thioxo-


Chemical Name: 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,2,3,7-tetrahydro-2-thioxo-
CAS Number: 67831-84-9
Product Number: AG00FCMH(AGN-PC-0L56PB)
Synonyms:
MDL No:
Molecular Formula: C6H5N3OS
Molecular Weight: 167.1884

Identification/Properties


Computed Properties
Molecular Weight:
167.186g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
167.015g/mol
Monoisotopic Mass:
167.015g/mol
Topological Polar Surface Area:
89A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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