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(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

CAS: 80082-65-1

Formula: C4H8N2O4S

SMILES: C[C@H]1[C@H](N)C(=O)N1S(O)(=O)=O

IUPAC: (2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

InChI: InChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)/t2-,3-/m0/s1

Composition: C (26.66%), H (4.48%), N (15.55%), O (35.52%), S (17.79%)

Molar Mass: 180.18

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 180.02047792
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ISUIVWNWEDIHJD-HRFVKAFMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.32
Topological Polar Surface Area 100.7
Polarizability 15.16
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 80082-65-1 $6.21-$390.20$6.21$7.25$11.39$22.77$79.70$390.20
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 80082-65-1 $51.35-$306.99$51.35$63.37$86.31$102.70$306.99
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