Home Other Building Blocks 3-[1-(methylsulfanyl)ethyl]aniline

3-[1-(methylsulfanyl)ethyl]aniline

CAS No.:
1215308-75-0
Catalog Number:
AG01AH3Y
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
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Product Description
Catalog Number:
AG01AH3Y
Chemical Name:
3-[1-(methylsulfanyl)ethyl]aniline
CAS Number:
1215308-75-0
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD14608026
IUPAC Name:
3-(1-methylsulfanylethyl)aniline
InChI:
InChI=1S/C9H13NS/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
InChI Key:
OSTQWAREBXRUSD-UHFFFAOYSA-N
SMILES:
CSC(c1cccc(c1)N)C
Properties
Complexity:
116  
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:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties