Home Halogens 1-Propanamine, 3-[(4-chlorophenyl)thio]-

1-Propanamine, 3-[(4-chlorophenyl)thio]-

CAS No.:
104864-09-7
Catalog Number:
AG007GAC
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
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:
AG007GAC
Chemical Name:
1-Propanamine, 3-[(4-chlorophenyl)thio]-
CAS Number:
104864-09-7
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
MDL Number:
MFCD06213253
IUPAC Name:
3-(4-chlorophenyl)sulfanylpropan-1-amine
InChI:
InChI=1S/C9H12ClNS/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2
InChI Key:
VVSRYXXUZUUHDJ-UHFFFAOYSA-N
SMILES:
NCCCSc1ccc(cc1)Cl
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.712g/mol
Monoisotopic Mass:
201.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties