Home Other Building Blocks 4-(tert-butylsulfanyl)-2-methylaniline

4-(tert-butylsulfanyl)-2-methylaniline

CAS No.:
75794-23-9
Catalog Number:
AG01A988
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
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Product Description
Catalog Number:
AG01A988
Chemical Name:
4-(tert-butylsulfanyl)-2-methylaniline
CAS Number:
75794-23-9
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
MDL Number:
MFCD12169280
IUPAC Name:
4-tert-butylsulfanyl-2-methylaniline
InChI:
InChI=1S/C11H17NS/c1-8-7-9(5-6-10(8)12)13-11(2,3)4/h5-7H,12H2,1-4H3
InChI Key:
CSPFOQLVTBPZLH-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)SC(C)(C)C
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.108g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.324g/mol
Monoisotopic Mass:
195.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties