Home Aminos 4-[(2-aminobutyl)sulfanyl]-1,2-dimethylbenzene

4-[(2-aminobutyl)sulfanyl]-1,2-dimethylbenzene

CAS No.:
1339381-36-0
Catalog Number:
AG01A27P
Molecular Formula:
C12H19NS
Molecular Weight:
209.3510
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Product Description
Catalog Number:
AG01A27P
Chemical Name:
4-[(2-aminobutyl)sulfanyl]-1,2-dimethylbenzene
CAS Number:
1339381-36-0
Molecular Formula:
C12H19NS
Molecular Weight:
209.3510
MDL Number:
MFCD20374158
IUPAC Name:
1-(3,4-dimethylphenyl)sulfanylbutan-2-amine
InChI:
InChI=1S/C12H19NS/c1-4-11(13)8-14-12-6-5-9(2)10(3)7-12/h5-7,11H,4,8,13H2,1-3H3
InChI Key:
AGCIHLAIYXOLGH-UHFFFAOYSA-N
SMILES:
CCC(CSc1ccc(c(c1)C)C)N
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.124g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.351g/mol
Monoisotopic Mass:
209.124g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties