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770-31-0 | 4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde
CAS No: 770-31-0 Catalog No: AG0033VZ MDL No:MFCD08669438
Product Description
Catalog Number:
AG0033VZ
Chemical Name:
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde
CAS Number:
770-31-0
Molecular Formula:
C6H7N3OS
Molecular Weight:
169.2043
MDL Number:
MFCD08669438
IUPAC Name:
4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
InChI Key:
FGONQMFYFJRAIG-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)N)C=O
NSC Number:
165376
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.202g/mol
Monoisotopic Mass:
169.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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