AG002IP9

2068-24-8 | Acetic acid, 2,2'-[methylenebis(thio)]bis-

AG002IP9

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CAS Number	2068-24-8
Catalog Number	AG002IP9(AGN-PC-0JLBYA)
Chemical Name	Acetic acid, 2,2'-[methylenebis(thio)]bis-
EC Number	218-189-5
IUPAC Name	2-(carboxymethylsulfanylmethylsulfanyl)acetic acid
InChI	InChI=1S/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChI Key	CZEVAMMETWVBOD-UHFFFAOYSA-N
MDL Number	MFCD00021766
Molecular Formula	C5H8O4S2
Molecular Weight	196.2446
NSC Number	163488
SMILES	O=C(O)CSCSCC(O)=O
Synonyms	2068-24-8, Methylenedithiodiacetic acid, Methylenebisthioglycolic acid, Acetic acid, 2,2'-[methylenebis(thio)]bis-, Acetic acid, (methylenedithio)di-, 2,2'-[methylenebis(thio)]diacetic acid, 2,2'-(Methylenebis(sulfanediyl))diacetic acid, Methylenebis-(thioglycollic acid), Acetic acid,2,2'-[methylenebis(thio)]bis-, Acetic acid, 2,2'-(methylenebis(thio))bis-, 2-({[(carboxymethyl)thio]methyl}thio)acetic acid, 2-([[(CARBOXYMETHYL)THIO]METHYL]THIO)ACETIC ACID, EINECS 218-189-5, NSC 163488, AC1L2MXE, AC1Q5WVO, Maybridge1_007359, 3,5-Dithiaheptanedioic acid, Methylenebis(thioglycolicAcid), SCHEMBL1324929, Methylene bis-(thioacetic acid), DTXSID7062164, methylene-bis(thioglycolic acid), CTK4E4867, HMS562G11, Methylenebis(mercaptoacetic acid), CZEVAMMETWVBOD-UHFFFAOYSA-N, ALBB-022736, ZINC1635711, ZX-AN021252, ZX-AT028135, MFCD00021766, NSC163488, AKOS001030456, ACM2068248, MCULE-7223873834, NSC-163488, KS-0000166M, NCGC00330413-01, 2,2'-(Methylenebis(thio))bisacetic acid, Acetic acid,2'-[methylenebis(thio)]bis-, 2,2'-methylenebis(sulfanediyl)diacetic acid, EU-0001617, FT-0608341, M0218, R1426, AB00631379-03, 2-(carboxymethylsulfanylmethylsulfanyl)acetic acid, SR-01000399282, SR-01000399282-1, ({[(carboxymethyl)sulfanyl]methyl}sulfanyl)acetic acid, Z56759247, (([(Carboxymethyl)sulfanyl]methyl)sulfanyl)acetic acid #, 2-({[(carboxymethyl)sulfanyl]methyl}sulfanyl)acetic acid, Pentanebis(thioic O,O-acid), Methylenebis(thioglycolic Acid), C5H8O4S2, C5-H8-O4-S2, CID74949, METHYLENEBIS(THIOACETIC ACID), AR-1H6367, 2,2'-[methylenebis(thio)]bisacetic acid, 21199-42-8,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.986g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.235g/mol
Monoisotopic Mass	195.986g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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