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(4R)-3-acetyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-acetyl-1,3-thiazolidine-4-carboxylic acid

CAS: 54323-50-1

Formula: C6H9NO3S

SMILES: CC(=O)N1CSC[C@H]1C(O)=O

IUPAC: (4R)-3-acetyl-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1

Composition: C (41.13%), H (5.18%), N (7.99%), O (27.40%), S (18.30%)

Molar Mass: 175.2

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 175.030314328
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WXTBYSIPOKXCPM-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.39
Topological Polar Surface Area 57.61
Polarizability 15.97
Ring Count 1
Rotatable Bond Count 1

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