(2R)-2-amino-3-(phenylsulfanyl)propanoic acid

(2R)-2-amino-3-(phenylsulfanyl)propanoic acid

CAS: 34317-61-8

Formula: C9H11NO2S

SMILES: N[C@@H](CSC1=CC=CC=C1)C(O)=O

IUPAC: (2R)-2-amino-3-(phenylsulfanyl)propanoic acid

InChI: InChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

Composition: C (54.80%), H (5.62%), N (7.10%), O (16.22%), S (16.25%)

Molar Mass: 197.25

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	197.051049772
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XYUBQWNJDIAEES-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.8
Topological Polar Surface Area	63.32
Polarizability	20.94
Ring Count	1
Rotatable Bond Count	4

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