L-Cysteine S-sulfate

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CAS Number

1637-71-4

Synonyms

S-Sulfo-L-cysteine

Purity

=98%

Smiles

C([C@@H](C(O)=O)N)SS(=O)(=O)O

Chemical Information

L-Cysteinesulfonic acid

S-sulfo-L-cysteine is an S-substituted L-cysteine where the S-substituent is specified as a sulfo group. It has a role as a plant metabolite and a human metabolite. It is an organic thiosulfate and a S-substituted L-cysteine. It is a conjugate acid of a S-sulfo-L-cysteinate(1-).

CAS Number	1637-71-4
PubChem CID	115015
IUPAC Name	(2R)-2-amino-3-sulfosulfanylpropanoic acid
Molecular Formula	C3H7NO5S2
Molecular Weight	201.2
XLogP	-4
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	229

SMILES

C([C@@H](C(=O)O)N)SS(=O)(=O)O

InChI

InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1

InChIKey

NOKPBJYHPHHWAN-REOHCLBHSA-N

Chemical Structure

2D Structure

CAS: 1637-71-4

CID: 115015

Formula: C3H7NO5S2

MW: 201.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	201.2
XLogP3	-4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	200.97656467
Monoisotopic Mass	200.97656467
Topological Polar Surface Area	151 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5802971	L-Cysteine S-sulfate
HY-100787	L-Cysteine S-sulfate (sodium)
FC180927-01	L-Cysteine S-sulfate sodium sesquihydrate
AR-C03919-01	L-Cysteine S-Sulfate-13C3-15N
HY-45609-01	L-Cysteine S-sulfate (sodium hydrate)
HY-45609R-01	L-Cysteine S-sulfate (sodium hydrate) (Standard)
GTR19277458-01	L-Cysteine S-sulfate sodium salt sesquihydrate
TRC-C997200-250MG	Cysteine-S-sulfate, Monohydrate
445425-01	Cysteine-S-sulfate-13C3,15N
C7066-100	S-Methyl-L-cysteine

L-Cysteine S-sulfate

Chemical Information

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