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77053-20-4 | 2-(ALLYLTHIO)ANILINE
CAS No: 77053-20-4 Catalog No: AG005730 MDL No:MFCD06655714
Product Description
Catalog Number:
AG005730
Chemical Name:
2-(ALLYLTHIO)ANILINE
CAS Number:
77053-20-4
Molecular Formula:
C9H11NS
Molecular Weight:
165.2553
MDL Number:
MFCD06655714
IUPAC Name:
2-prop-2-enylsulfanylaniline
InChI:
InChI=1S/C9H11NS/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2
InChI Key:
HDIIJUUMINQFTP-UHFFFAOYSA-N
SMILES:
C=CCSc1ccccc1N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.254g/mol
Monoisotopic Mass:
165.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
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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