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1000576-08-8 | 2-iodo-4-methylthiopyrimidine
CAS No: 1000576-08-8 Catalog No: AG01DX4Z MDL No:MFCD09878556
Product Description
Catalog Number:
AG01DX4Z
Chemical Name:
2-iodo-4-methylthiopyrimidine
CAS Number:
1000576-08-8
Molecular Formula:
C5H5IN2S
Molecular Weight:
252.0761
MDL Number:
MFCD09878556
IUPAC Name:
2-iodo-4-methylsulfanylpyrimidine
InChI:
InChI=1S/C5H5IN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChI Key:
GBBQPKKFWLPCFM-UHFFFAOYSA-N
SMILES:
CSc1ccnc(n1)I
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.922g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.073g/mol
Monoisotopic Mass:
251.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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