Home Other Building Blocks 4-(butan-2-ylsulfanyl)-2-methylaniline

4-(butan-2-ylsulfanyl)-2-methylaniline

CAS No.:
1155084-80-2
Catalog Number:
AG01A8BR
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
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Product Description
Catalog Number:
AG01A8BR
Chemical Name:
4-(butan-2-ylsulfanyl)-2-methylaniline
CAS Number:
1155084-80-2
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
MDL Number:
MFCD12169278
IUPAC Name:
4-butan-2-ylsulfanyl-2-methylaniline
InChI:
InChI=1S/C11H17NS/c1-4-9(3)13-10-5-6-11(12)8(2)7-10/h5-7,9H,4,12H2,1-3H3
InChI Key:
BHQBZLMFLIYLKF-UHFFFAOYSA-N
SMILES:
CCC(Sc1ccc(c(c1)C)N)C
Properties
Complexity:
149  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties