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2014-75-7 | Ethanamine, 2-(phenylthio)-
CAS No: 2014-75-7 Catalog No: AG002DE4 MDL No:MFCD00014824
Product Description
Catalog Number:
AG002DE4
Chemical Name:
Ethanamine, 2-(phenylthio)-
CAS Number:
2014-75-7
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD00014824
IUPAC Name:
2-phenylsulfanylethanamine
InChI:
InChI=1S/C8H11NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChI Key:
UBKQRASXZMLQRJ-UHFFFAOYSA-N
SMILES:
NCCSc1ccccc1
UNII:
B0SD0G9QMH
Properties
Complexity:
79.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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