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146300-52-9 | Propanoic acid, 2-(phenylthio)-, (2R)-
CAS No: 146300-52-9 Catalog No: AG001DVD MDL No:MFCD20638419
Product Description
Catalog Number:
AG001DVD
Chemical Name:
Propanoic acid, 2-(phenylthio)-, (2R)-
CAS Number:
146300-52-9
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD20638419
IUPAC Name:
2-phenylsulfanylpropanoic acid
InChI:
InChI=1S/C9H10O2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChI Key:
SMVCUJHUXYLBIQ-UHFFFAOYSA-N
SMILES:
C[C@H](C(=O)O)Sc1ccccc1
NSC Number:
115081
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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