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2-amino-3-(carboxymethanesulfinyl)propanoic acid

2-amino-3-(carboxymethanesulfinyl)propanoic acid

CAS: 5439-87-2

Formula: C5H9NO5S

SMILES: NC(CS(=O)CC(O)=O)C(O)=O

IUPAC: 2-amino-3-(carboxymethanesulfinyl)propanoic acid

InChI: InChI=1/C5H9NO5S/c6-3(5(9)10)1-12(11)2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)

Composition: C (30.77%), H (4.65%), N (7.18%), O (40.98%), S (16.43%)

Molar Mass: 195.19

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 195.020143568
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey DUGSIUCROZRSMS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.59
Topological Polar Surface Area 117.69
Polarizability 16.4
Ring Count 0
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
97% <10 Days 5439-87-2 Quote Only
Custom Synthesis. Higher purity available. Multi gram to multi kg
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Coreychem
Supplier Profile
Purity LeadTime CAS UnitPrice
97% <10 Days 5439-87-2 Quote Only
Custom Synthesis. Higher purity available. Multi gram to multi kg
Request Quote