Cystamine dihydrochloride

CAT: 0926-FC36410-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FC36410-01Size:0.25 kg

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CAS Number

56-17-7

MDL Number

MFCD00012905

Smiles

C (CSSCCN) N.Cl.Cl

Molecular Formula

C4H12N2S2•2HCl

Molecular Weight

225.2 g/mol

Controlled

Chemical Information

Cystamine Dihydrochloride

See also: Cystamine (has active moiety).

CAS Number	56-17-7
PubChem CID	5941
IUPAC Name	2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
Molecular Formula	C4H14Cl2N2S2
Molecular Weight	225.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	37

SMILES

C(CSSCCN)N.Cl.Cl

InChI

InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H

InChIKey

YUFRRMZSSPQMOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56-17-7

CID: 5941

Formula: C4H14Cl2N2S2

MW: 225.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	223.9975462
Monoisotopic Mass	223.9975462
Topological Polar Surface Area	103 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	37
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Catalog	Name
BUP19311	Cystamine dihydrochloride
HY-W020050-01	Cystamine (dihydrochloride)