Home Other Building Blocks 3-(Phenylthio)propan-1-amine, HCl

3-(Phenylthio)propan-1-amine, HCl

CAS No.:
2015-09-0
Catalog Number:
AG002DGY
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG002DGY
Chemical Name:
3-(Phenylthio)propan-1-amine, HCl
CAS Number:
2015-09-0
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD05262928
IUPAC Name:
3-phenylsulfanylpropan-1-amine
InChI:
InChI=1S/C9H13NS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChI Key:
XJESCJCYQFZYDZ-UHFFFAOYSA-N
SMILES:
NCCCSc1ccccc1
NSC Number:
609588
Properties
Complexity:
89.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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