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Carbocysteine sulfoxide

CAT: 0013-GTR19268558-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268558-01Size:50 mg
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Description
Carbocysteine sulfoxide is an impurity found in Carbocisteine.
CAS Number
5439-87-2
Smiles
S (C[C@@H] (C (O) =O) N) (CC (O) =O) =O
Molecular Formula
C5H9NO5S
Molecular Weight
195.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carbocysteine sulfoxide
CAS Number5439-87-2
PubChem CID95496
IUPAC Name2-amino-3-(carboxymethylsulfinyl)propanoic acid
Molecular FormulaC5H9NO5S
Molecular Weight195.20
XLogP-4.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity216
SMILES
C(C(C(=O)O)N)S(=O)CC(=O)O
InChI
InChI=1S/C5H9NO5S/c6-3(5(9)10)1-12(11)2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKey
DUGSIUCROZRSMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbocysteine sulfoxide
CAS: 5439-87-2
CID: 95496
Formula: C5H9NO5S
MW: 195.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.20
XLogP3-4.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass195.02014356
Monoisotopic Mass195.02014356
Topological Polar Surface Area137 Ų
Heavy Atom Count12
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FC180126-01Carbocysteine sulfoxide
596464Carbocysteine
JH918003Glyoxyloyl carbocysteine
AR-C05234-01Rac-Carbocysteine
32943-01Carbocysteine extrapure, 98%
RM-C750001-01Carbocysteine Impurity 1
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