AG00F2AX

59587-09-6 | N-Acetyl-L-cysteine ethyl ester

AG00F2AX

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CAS Number	59587-09-6
Catalog Number	AG00F2AX(AGN-PC-0OCXRJ)
Chemical Name	N-Acetyl-L-cysteine ethyl ester
IUPAC Name	ethyl (2R)-2-acetamido-3-sulfanylpropanoate
InChI	InChI=1S/C7H13NO3S/c1-3-11-7(10)6(4-12)8-5(2)9/h6,12H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChI Key	MSMRAGNKRYVTCX-LURJTMIESA-N
MDL Number	MFCD09954466
Molecular Formula	C7H13NO3S
Molecular Weight	191.2480
SMILES	SC[C@@H](C(OCC)=O)NC(C)=O
Synonyms	59587-09-6, (R)-ethyl 2-acetamido-3-mercaptopropanoate, N-ACETYL-L-CYSTEINE ETHYL ESTER, L-Cysteine, N-acetyl-, ethyl ester, L-Cysteine, N-acetyl-,ethyl ester, ethyl (2R)-2-acetamido-3-sulfanylpropanoate, N-Acetylcysteine ethylester, AC1L3XYE, n-acetylcysteine ethyl ester, n-acetyl-cysteine ethyl ester, SCHEMBL122645, N-Acetyl Cysteine Ethyl Ester, CTK5B0172, DTXSID80208249, MSMRAGNKRYVTCX-LURJTMIESA-N, ZINC5138452, MFCD09954466, AKOS006311007, QC-1183, AK174778, FT-0655121, Alamethicin I, N-Acetyl-L-cysteineethylester, C7-H13-N-O3-S, CID148861,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	191.062g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.245g/mol
Monoisotopic Mass	191.062g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	56.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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