AG003OA6

6326-83-6 | Bis(carboxymethyl) Trithiocarbonate

AG003OA6

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CAS Number	6326-83-6
Catalog Number	AG003OA6(AGN-PC-0JLSRF)
Chemical Name	Bis(carboxymethyl) Trithiocarbonate
EC Number	228-693-7
IUPAC Name	2-(carboxymethylsulfanylcarbothioylsulfanyl)acetic acid
InChI	InChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChI Key	GQECANUIPBFPLA-UHFFFAOYSA-N
MDL Number	MFCD00004357
Molecular Formula	C5H6O4S3
Molecular Weight	226.2937
NSC Number	30797
SMILES	C(=S)(SCC(=O)O)SCC(=O)O
Synonyms	6326-83-6, Bis(carboxymethyl)trithiocarbonate, Bis(carboxymethyl) trithiocarbonate, Trithiocarbodiglycolic acid, Acetic acid, 2,2'-[carbonothioylbis(thio)]bis-, Thiocarbonyldithioglycolic acid, 3,5-Dithia-4-thioxo-1,7-heptanedioic acid, GQECANUIPBFPLA-UHFFFAOYSA-N, Trithiocarbonic Acid Bis(carboxymethyl) Ester, 2-[(carboxymethylthio)thioxomethylthio]acetic acid, Acetic acid, 2,2'-(carbonothioylbis(thio))bis-, AO-840/40433893, ({[(carboxymethyl)sulfanyl]carbothioyl}sulfanyl)acetic acid, EINECS 228-693-7, 2-(carboxymethylsulfanylcarbothioylsulfanyl)acetic acid, Carbonic acid, trithio-, diester with mercaptoacetic acid, ACMC-209nek, AI3-23419, AC1L2ZSC, 2,2'-(carbonothioyldisulfanediyl)diacetic acid, AC1Q5WT0, SCHEMBL1222204, CTK3J5030, DTXSID10212652, ALBB-029809, bis (carboxymethyl) trithiocarbonate, NSC30797, ZINC1661333, ZX-AT029310, ANW-34602, MFCD00004357, NSC-30797, SBB000667, AKOS000266876, MCULE-1853026961, VZ31457, Bis(carboxymethyl)trithiocarbonate, 98%, SC-16520, ST044477, AB1002703, DB-054446, RT-002326, Acetic acid,2'-[carbonothioylbis(thio)]bis-, FT-0623054, T2036, 2,2'-thiocarbonylbis(sulfanediyl)diacetic acid, Carbonic acid, diester with mercaptoacetic acid, C-12888, S04-0124, acetic acid, 2,2'-[(thioxomethylene)bis(thio)]bis-, 2-(carboxymethylsulfanylcarbothioylsulfanyl)-acetic acid, (([(CARBOXYMETHYL)SULFANYL]CARBOTHIOYL)SULFANYL)AC, (([(Carboxymethyl)sulfanyl]carbothioyl)sulfanyl)acetic acid #, ({[(carboxymethyl)sulfanyl]methanethioyl}sulfanyl)acetic acid, InChI=1/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9, null, C5H6O4S3, C5-H6-O4-S3, CID80618, AR-1D0123, 64037-00-9,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.943g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.279g/mol
Monoisotopic Mass	225.943g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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