Tiopronin disulfide

CAT: 0926-WAA26937-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA26937-01Size:100 mg

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CAS Number

21269-37-4

Smiles

CC1=CC (=C (C=C1) S (=O) (=O) N) C#N

Molecular Formula

C10H16N2O6S2

Molecular Weight

324.38 g/mol

Controlled

Chemical Information

Tiopronin Disulfide

CAS Number	21269-37-4
PubChem CID	42613848
IUPAC Name	2-[2-[[1-(carboxymethylamino)-1-oxopropan-2-yl]disulfanyl]propanoylamino]acetic acid
Molecular Formula	C10H16N2O6S2
Molecular Weight	324.4
XLogP	-0.4
Topological Polar Surface Area	183
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	20
Formal Charge	0
Complexity	354

SMILES

CC(C(=O)NCC(=O)O)SSC(C)C(=O)NCC(=O)O

InChI

InChI=1S/C10H16N2O6S2/c1-5(9(17)11-3-7(13)14)19-20-6(2)10(18)12-4-8(15)16/h5-6H,3-4H2,1-2H3,(H,11,17)(H,12,18)(H,13,14)(H,15,16)

InChIKey

MXBCRXQYFIPNMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21269-37-4

CID: 42613848

Formula: C10H16N2O6S2

MW: 324.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	-0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	324.04497858
Monoisotopic Mass	324.04497858
Topological Polar Surface Area	183 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM28287-01	Tiopronin
FD05981-01	Dicyclopentamethylenethiuram disulfide
FD44047-01	Dicyclohexyl disulfide
DBA75222-01	Diethoxy disulfide
FD59865-01	Diallyl disulfide
FD40111-01	Diphenyl disulfide
FP07495-01	Phenylacetyl disulfide
YEA65806-01	Thiorphan disulfide
FD41213	Diethyl disulfide
FD41184-01	Dimethyldiphenylthiuram disulfide

Catalog	Name
TRC-T444790-250MG	Tiopronin Disulfide
CS-O-54396	Tiopronin-Cysteine Disulfide
TRC-T444792-100MG	Tiopronin Disulfide-d6
BUP19236	Tiopronin