Home Other Building Blocks 3-[(2-methylpropane-2-sulfinyl)methyl]aniline

3-[(2-methylpropane-2-sulfinyl)methyl]aniline

CAS No.:
28288-33-7
Catalog Number:
AG01AIUY
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
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Product Description
Catalog Number:
AG01AIUY
Chemical Name:
3-[(2-methylpropane-2-sulfinyl)methyl]aniline
CAS Number:
28288-33-7
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
MDL Number:
MFCD14650761
IUPAC Name:
3-(tert-butylsulfinylmethyl)aniline
InChI:
InChI=1S/C11H17NOS/c1-11(2,3)14(13)8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3
InChI Key:
ULALEJRMTPYQIP-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CS(=O)C(C)(C)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.103g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.323g/mol
Monoisotopic Mass:
211.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties