(4R)-1,3-thiazinane-4-carboxylic acid

(4R)-1,3-thiazinane-4-carboxylic acid

CAS: 147331-82-6

Formula: C5H9NO2S

SMILES: OC(=O)[C@H]1CCSCN1

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

InChI: InChI=1S/C5H9NO2S/c7-5(8)4-1-2-9-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

Composition: C (40.80%), H (6.16%), N (9.52%), O (21.74%), S (21.78%)

Molar Mass: 147.19

Atom Count: 18

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	147.035399708
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JZKHUBWXBZINMO-SCSAIBSYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.54
Topological Polar Surface Area	49.33
Polarizability	14.36
Ring Count	1
Rotatable Bond Count	1

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