S-Allylmercaptocysteine

CAT: 0607-BA2954-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2954-5Size:5 mg

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CAS Number

2281-22-3

Form

A solid

Molecular Formula

C6H11NO2S2

Molecular Weight

193.29

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

S-(Allylthio)-L-cysteine

S-(Allylthio)-L-cysteine is a cysteine derivative.

CAS Number	2281-22-3
PubChem CID	9837024
IUPAC Name	2-amino-3-(prop-2-enyldisulfanyl)propanoic acid
Molecular Formula	C6H11NO2S2
Molecular Weight	193.3
XLogP	-2
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

C=CCSSCC(C(=O)O)N

InChI

InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

InChIKey

WYQZZUUUOXNSCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2281-22-3

CID: 9837024

Formula: C6H11NO2S2

MW: 193.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.3
XLogP3	-2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	193.02312094
Monoisotopic Mass	193.02312094
Topological Polar Surface Area	114 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
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
HY-145532-01	S-Allylmercaptocysteine
T74414L-01	S-Allylmercaptocysteine HCl
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TRC-N381313-50MG	(S,S,S,S)-Nebivolol
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AR-O01425-01	(S, S, S, S) -Orlistat
465056	S, S, S, S, S-Trandolapril Hydrochloride
TRC-T713490-1G	S,S,S,S,S-Trandolapril Hydrochloride
HY-125845B	(S, S, S) -AHPC
HY-120217A	(S, S, S) -VH032