Home Other Building Blocks 2-[2-(methylsulfanyl)ethyl]aniline

2-[2-(methylsulfanyl)ethyl]aniline

CAS No.:
170944-68-0
Catalog Number:
AG01C04R
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C04R
Chemical Name:
2-[2-(methylsulfanyl)ethyl]aniline
CAS Number:
170944-68-0
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD16780281
IUPAC Name:
2-(2-methylsulfanylethyl)aniline
InChI:
InChI=1S/C9H13NS/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7,10H2,1H3
InChI Key:
IOQYJXHLIHNPTJ-UHFFFAOYSA-N
SMILES:
CSCCc1ccccc1N
Properties
Complexity:
106  
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:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties