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(2R)-2-(benzylamino)-4-(methylsulfanyl)butanoic acid

(2R)-2-(benzylamino)-4-(methylsulfanyl)butanoic acid

Formula: C12H17NO2S

SMILES: CSCC[C@@H](NCC1=CC=CC=C1)C(O)=O

IUPAC: (2R)-2-(benzylamino)-4-(methylsulfanyl)butanoic acid

InChI: InChI=1S/C12H17NO2S/c1-16-8-7-11(12(14)15)13-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,14,15)/t11-/m1/s1

Composition: C (60.22%), H (7.16%), N (5.85%), O (13.37%), S (13.40%)

Molar Mass: 239.33

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 239.097999965
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FOOSYQFGVYKUAE-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.97
Topological Polar Surface Area 49.33
Polarizability 26.47
Ring Count 1
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C12H17NO2S $1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00
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