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4-aminothiolane-3-carboxylic acid

4-aminothiolane-3-carboxylic acid

CAS: 1379163-13-9

Formula: C5H9NO2S

SMILES: NC1CSCC1C(O)=O

IUPAC: 4-aminothiolane-3-carboxylic acid

InChI: InChI=1/C5H9NO2S/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2,6H2,(H,7,8)

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 2
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 PFPQHZAVYICYEM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.64
Topological Polar Surface Area 63.32
Polarizability 14.36
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 1379163-13-9 $1,760.00-$3,520.00$1,760.00$2,200.00$3,520.00
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