AG003U4L

7025-19-6 | N-CARBOXYETHYLRHODANINE

AG003U4L

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CAS Number	7025-19-6
Catalog Number	AG003U4L(AGN-PC-0JLTA7)
Chemical Name	N-CARBOXYETHYLRHODANINE
EC Number	230-307-7
IUPAC Name	3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
InChI	InChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)
InChI Key	SWAHCTPCIUXXTQ-UHFFFAOYSA-N
MDL Number	MFCD00022558
Molecular Formula	C6H7NO3S2
Molecular Weight	205.2547
NSC Number	97091
SMILES	S=C(N1CCC(O)=O)SCC1=O
Synonyms	7025-19-6, N-Carboxyethylrhodanine, Rhodanine-3-propionic acid, 3-(4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, Rodanin-3-propionic acid, 4-Oxo-2-thioxo-3-thiazolidinepropionic acid, 3-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid, N-(2-Carboxyethyl)rhodanine, 3-Thiazolidinepropionic acid, 4-oxo-2-thioxo-, EINECS 230-307-7, BRN 1075880, 4-Oxo-2-thioxothiazolidine-3-propionic acid, 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid, 3-Thiazolidinepropanoic acid, 4-oxo-2-thioxo-, SWAHCTPCIUXXTQ-UHFFFAOYSA-N, 3-(4-Oxo-2-thioxo-thiazolidin-3-yl)-propionic acid, NSC97091, 3-carboxyethylrhodanine, ACMC-209odl, 3-beta-carboxyethylrhodanine, AC1L31FS, Oprea1_561305, Oprea1_635953, AC1Q7F66, SCHEMBL1279204, 3-RHODANINEPROPIONIC ACID, CTK2H7641, DTXSID10220494, ALBB-005191, ZINC1627166, Rhodanine-3-propionic Acid , 98%, ANW-35863, BBL005568, MFCD00022558, NSC-97091, SBB009645, STK397036, AKOS000267582, MCULE-2679574925, AK400374, BAS 00567410, DS-13205, AB0167736, DB-055396, LS-151534, TR-023283, 3-Thiazolidinepropanoicacid,4-oxo-2-thioxo-, FT-0636336, R0060, R1451, ST50056065, X7628, 3-Thiazolidinepropanoicacid, 4-oxo-2-thioxo-, 3-(2-carboxyethyl)-2-thioxothiazolidin-4-one, SR-01000404571, 3-(4-Oxo-2-thioxo-thiazolidin-3-yl)propanoic acid, SR-01000404571-1, I14-26429, Z56948359, F0385-0054, F1902-0020, 3-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid #, C6H7NO3S2, C6-H7-N-O3-S2, CID81492, AR-1K6585, 4-oxo-2-thioxo-3-Thiazolidinepropanoic acid, 4765-67-7,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.987g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.246g/mol
Monoisotopic Mass	204.987g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number