Home Other Building Blocks 3-[(tert-butylsulfanyl)methyl]aniline

3-[(tert-butylsulfanyl)methyl]aniline

CAS No.:
28288-27-9
Catalog Number:
AG01AIUK
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
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Product Description
Catalog Number:
AG01AIUK
Chemical Name:
3-[(tert-butylsulfanyl)methyl]aniline
CAS Number:
28288-27-9
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
MDL Number:
MFCD11136243
IUPAC Name:
3-(tert-butylsulfanylmethyl)aniline
InChI:
InChI=1S/C11H17NS/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3
InChI Key:
UALMRUHIVCQBGA-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CSC(C)(C)C
Properties
Complexity:
151  
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:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties