AG003PY1

84611-23-4 | 2-({[(2-oxothiolan-3-yl)carbamoyl]methyl}sulfanyl)acetic acid

AG003PY1

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CAS Number	84611-23-4
Catalog Number	AG003PY1(AGN-PC-05WHJ8)
Chemical Name	2-({[(2-oxothiolan-3-yl)carbamoyl]methyl}sulfanyl)acetic acid
IUPAC Name	2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid
InChI	InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)
InChI Key	QGFORSXNKQLDNO-UHFFFAOYSA-N
MDL Number	MFCD00867664
Molecular Formula	C8H11NO4S2
Molecular Weight	249.3072
SMILES	O=C(O)CSCC(NC(CCS1)C1=O)=O
Synonyms	Dostein, Edirel, erdosteine, Esteclin, RV 144, RV-144, S-(2-(N-3-(2-oxo-tetrahydrothienyl)acetamido))thioglycolic acid, Vectrine, Erdosteine, 84611-23-4, Erdosteinum [Latin], RV 144, Erdosteine [INN], PV 144, RV-144, C8H11NO4S2, Erdosteine (INN), 105426-14-0, KW-9144, NCGC00185774-01, 2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid, DL-S-(2-(N-3-(2-Oxotetrahydrotheinyl)acetamido))thioglycolic acid, ((2-Oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl)thio)acetic acid, Acide ((2-oxo-3-tetrahydrothienylcarbamoyl)-methylthio)acetique [French], DSSTox_CID_28661, DSSTox_RID_82931, DSSTox_GSID_48735, Dithiosteine, Erdosteinum, Vectrine, Edirel, N-(Tetrahydro-2-oxo-3-thienyl)-3-thiapentanedioic Acid Monoamide, (+-)-((((Tetrahydro-2-oxo-3-thienyl)carbamoyl)methyl)thio)acetic acid, ({2-Oxo-2-[(2-oxotetrahydro-3-thienyl)amino]ethyl}sulfanyl)acetic acid, 2-[2-oxo-2-[(2-oxotetrahydrothiophen-3-yl)amino]ethyl]sulfanylacetic acid, Acetic acid, ((2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl)thio)-, Acetic acid, [[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-, CAS-84611-23-4, Erdosteine [INN:BAN], Erdostiene, Erdotin, 2-(2-oxo-2-(2-oxotetrahydrothiophen-3-ylamino)ethylthio)acetic acid, Erdosteine,(S), Mucotec (TN), AC1L23NN, AC1Q6HW2, SCHEMBL21721, MLS006010056, CHEMBL1697744, DTXSID8048735, Erdosteine, >=98% (HPLC), CTK3E8142, CHEBI:135014, HMS3264C11, HMS3655I14, Acide ((2-oxo-3-tetrahydrothienylcarbamoyl)-methylthio)acetique, EBD89745, HY-B0289, KS-00000XO0, S-(2-(N-3-(2-oxo-tetrahydrothienyl)acetamido))thioglycolic acid, Tox21_113176, KM2223, MFCD00867664, s1825, STL452949, AKOS015888361, Tox21_113176_1, AC-5278, API0002581, CCG-213836, CS-2302, DB05057, KS-1352, NCGC00185774-02, AK343448, AN-11168, K510, LS-12659, SC-12161, SMR002529560, AB0014260, AB2000312, TL8005524, E1026, FT-0625684, FT-0630929, SW220302-1, D07383, AB01274804-01, AB01274804_02, AB01274804_03, 611E234, A840878, n-(carboxymethylthioacetyl)homocysteine thiolactone, SR-01000944253, I01-1035, SR-01000944253-1, 2-[[2-oxo-2-[(2-oxo-3-thiolanyl)amino]ethyl]thio]acetic acid, ({2-oxo-2-[(2-oxotetrahydrothiophen-3-yl)amino]ethyl}sulfanyl)acetic acid, 2-((2-Oxo-2-((2-oxotetrahydrothiophen-3-yl)amino)ethyl)thio)acetic acid, Aceticacid, 2-[[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-, 2-[2-oxidanylidene-2-[(2-oxidanylidenethiolan-3-yl)amino]ethyl]sulfanylethanoic acid, null, Esteclin, Dostein, Tussol, UNII-76J0853EKA, 76J0853EKA, CID65632, C8-H11-N-O4-S2, CS-T-21898, C048498, (+-)-[[[(tetrahydro-2-oxo-3-thienyl)carbamoyl]methyl]thio]acetic acid, 2-[[2-Oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]acetic acid, Acetic acid, 2-[[2-oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]-,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.013g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	249.299g/mol
Monoisotopic Mass	249.013g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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