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46118-95-0 | 2-((4-Methylpyrimidin-2-yl)thio)acetic acid
CAS No: 46118-95-0 Catalog No: AG003F07 MDL No:MFCD00023244
Product Description
Catalog Number:
AG003F07
Chemical Name:
2-((4-Methylpyrimidin-2-yl)thio)acetic acid
CAS Number:
46118-95-0
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
MDL Number:
MFCD00023244
IUPAC Name:
2-(4-methylpyrimidin-2-yl)sulfanylacetic acid
InChI:
InChI=1S/C7H8N2O2S/c1-5-2-3-8-7(9-5)12-4-6(10)11/h2-3H,4H2,1H3,(H,10,11)
InChI Key:
CGMJQRAIQBSTCC-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nccc(n1)C
EC Number:
256-253-4
NSC Number:
164942
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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