Home Other Building Blocks 2-(benzylsulfanyl)propan-1-amine

2-(benzylsulfanyl)propan-1-amine

CAS No.:
60116-75-8
Catalog Number:
AG01EI4P
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
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Product Description
Catalog Number:
AG01EI4P
Chemical Name:
2-(benzylsulfanyl)propan-1-amine
CAS Number:
60116-75-8
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD16077778
IUPAC Name:
2-benzylsulfanylpropan-1-amine
InChI:
InChI=1S/C10H15NS/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChI Key:
OXAHKDSMEQAHBZ-UHFFFAOYSA-N
SMILES:
NCC(SCc1ccccc1)C
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties