Home Other Building Blocks 2-methanesulfinyl-1-phenylethan-1-amine

2-methanesulfinyl-1-phenylethan-1-amine

CAS No.:
1343837-40-0
Catalog Number:
AG019RT8
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
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Product Description
Catalog Number:
AG019RT8
Chemical Name:
2-methanesulfinyl-1-phenylethan-1-amine
CAS Number:
1343837-40-0
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD20381897
IUPAC Name:
2-methylsulfinyl-1-phenylethanamine
InChI:
InChI=1S/C9H13NOS/c1-12(11)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChI Key:
XYQCUGXQYRHLAX-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CS(=O)C
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties