Dacisteine

CAT: 0127-BUP11269-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11269-02Size:50 mg

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CAS Number

18725-37-6

Synonyms

N, S-Diacetyl-L-cysteine

Purity

=98%

Smiles

CC(=O)N[C@@H](CSC(C)=O)C(O)=O

Chemical Information

N,S-Diacetylcysteine

Dacisteine is a N-acyl-L-amino acid.

CAS Number	18725-37-6
PubChem CID	65690
IUPAC Name	(2R)-2-acetamido-3-acetylsulfanylpropanoic acid
Molecular Formula	C7H11NO4S
Molecular Weight	205.23
XLogP	-0.4
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	229

SMILES

CC(=O)N[C@@H](CSC(=O)C)C(=O)O

InChI

InChI=1S/C7H11NO4S/c1-4(9)8-6(7(11)12)3-13-5(2)10/h6H,3H2,1-2H3,(H,8,9)(H,11,12)/t6-/m0/s1

InChIKey

HSPYGHDTVQJUDE-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 18725-37-6

CID: 65690

Formula: C7H11NO4S

MW: 205.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.23
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	205.04087901
Monoisotopic Mass	205.04087901
Topological Polar Surface Area	109 Å²
Heavy Atom Count	13
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

Catalog	Name
T15047-01	Dacisteine
HY-121765R-01	Dacisteine (Standard)