Tiopronin Impurity 7

CAT: 1299-RM-T151607-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T151607-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

21301-10-0

Synonyms

(carboxymethyl) cysteine; DL-Cysteine, N- (carboxymethyl) -

Molecular Formula

C5H9NO4S

Molecular Weight

179.19

Target Alternative Name

Tiopronin

Product Name Synonym

(carboxymethyl) cysteine; DL-Cysteine, N- (carboxymethyl) -

Chemical Information

N-(Carboxymethyl)-DL-cysteine

CAS Number	21301-10-0
PubChem CID	89481
IUPAC Name	2-(carboxymethylamino)-3-sulfanylpropanoic acid
Molecular Formula	C5H9NO4S
Molecular Weight	179.20
XLogP	-3
Topological Polar Surface Area	87.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

C(C(C(=O)O)NCC(=O)O)S

InChI

InChI=1S/C5H9NO4S/c7-4(8)1-6-3(2-11)5(9)10/h3,6,11H,1-2H2,(H,7,8)(H,9,10)

InChIKey

VUCDIRJQEQYQRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21301-10-0

CID: 89481

Formula: C5H9NO4S

MW: 179.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.20
XLogP3	-3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	179.02522894
Monoisotopic Mass	179.02522894
Topological Polar Surface Area	87.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T05244-01	Tiopronin Impurity 4
AR-T05242-01	Tiopronin Impurity 2
AR-T05243-01	Tiopronin Impurity 3
CS-EO-00595	Tiopronin Impurity 1
CS-EO-00592	Tiopronin Sulfinic Acid Impurity
BUP19236	Tiopronin