Home Other Building Blocks 2-(Phenylthio)ethanamine

2-(Phenylthio)ethanamine

CAS No.:
2014-75-7
Catalog Number:
AG002DE4
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$875
- +
25g
98%
In Stock USA
United States
$1750
- +
Product Description
Catalog Number:
AG002DE4
Chemical Name:
2-(Phenylthio)ethanamine
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
Properties