(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CAS: 22916-26-3

Formula: C6H11NO2S

SMILES: CC1(C)SCN[C@H]1C(O)=O

IUPAC: (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1

Composition: C (44.70%), H (6.88%), N (8.69%), O (19.85%), S (19.89%)

Molar Mass: 161.22

Atom Count: 21

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	161.051049772
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PMQQFSDIECYOQV-BYPYZUCNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.83
Topological Polar Surface Area	49.33
Polarizability	16.19
Ring Count	1
Rotatable Bond Count	1

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