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Home > Boronic Acids > 348098-29-3
348098-29-3 | 2-(METHYLTHIO)PYRIMIDINE-5-BORONIC ACID
CAS No: 348098-29-3 Catalog No: AG00BYGF MDL No:MFCD07375142
Product Description
Catalog Number:
AG00BYGF
Chemical Name:
2-(METHYLTHIO)PYRIMIDINE-5-BORONIC ACID
CAS Number:
348098-29-3
Molecular Formula:
C5H7BN2O2S
Molecular Weight:
169.9973
MDL Number:
MFCD07375142
IUPAC Name:
(2-methylsulfanylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C5H7BN2O2S/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChI Key:
SLNVTXVTMQIKCE-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)B(O)O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.993g/mol
Monoisotopic Mass:
170.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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