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1217456-30-8 | Benzenemethanamine, α-methyl-4-(methylthio)-, (αR)-
CAS No: 1217456-30-8 Catalog No: AG0015OW MDL No:MFCD06762293
Product Description
Catalog Number:
AG0015OW
Chemical Name:
Benzenemethanamine, α-methyl-4-(methylthio)-, (αR)-
CAS Number:
1217456-30-8
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD06762293
IUPAC Name:
(1R)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H13NS.ClH/c1-7(10)8-3-5-9(11-2)6-4-8;/h3-7H,10H2,1-2H3;1H/t7-;/m1./s1
InChI Key:
FIKZELFTBUJWNB-OGFXRTJISA-N
SMILES:
CSc1ccc(cc1)[C@H](N)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.728g/mol
Monoisotopic Mass:
203.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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