AG0033HV

111-17-1 | 3,3‘-Thiodipropionic acid

AG0033HV

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CAS Number	111-17-1
Catalog Number	AG0033HV(AGN-PC-0JK8DH)
Chemical Name	3,3‘-Thiodipropionic acid
EC Number	203-841-3
IUPAC Name	3-(2-carboxyethylsulfanyl)propanoic acid
InChI	InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI Key	ODJQKYXPKWQWNK-UHFFFAOYSA-N
MDL Number	MFCD00002781
Molecular Formula	C6H10O4S
Molecular Weight	178.2062
NSC Number	8166
SMILES	S(CCC(=O)O)CCC(=O)O
UNII	3BBK323ED8
Synonyms	thiodipropionic acid, 3,3'-Thiodipropionic acid, 111-17-1, THIODIPROPIONIC ACID, Bis(2-carboxyethyl) sulfide, Tyox A, Propanoic acid, 3,3'-thiobis-, Thiodihydracrylic acid, 3,3'-Thiodipropanoic acid, 4-Thiaheptanedioic acid, TDPA, Sulfide, bis(2-carboxyethyl), 3,3'-Thiodi(propionic acid), 3,3'-Thiobis(propanoic acid), Propionic acid, 3,3'-thiodi-, Thiahydracrylic acid, Diethyl sulfide 2,2'-dicarboxylic acid, 3,3-thiodipropionic acid, 3-[(2-carboxyethyl)sulfanyl]propanoic acid, NSC 8166, UNII-3BBK323ED8, Kyselina 3,3-thiodipropionova, CCRIS 3288, HSDB 858, EINECS 203-841-3, MFCD00002781, Kyselina 3,3-thiodipropionova [Czech], 3,3'-Thiobispropanoic acid, 3,3'-Thiobis-propanoic acid, AI3-25276, MLS000105101, 3BBK323ED8, Kyselina beta,beta'-thiodipropionova [Czech], ODJQKYXPKWQWNK-UHFFFAOYSA-N, 3,3'-thiodipropionic acid, 99%, .beta.,.beta.'-Thiodipropionic acid, Diethyl sulfide-2,2'-dicarboxylic acid, 3-(2-carboxyethylsulfanyl)propanoic acid, Kyselina .beta.,.beta.'-thiodipropionova, SMR000055030, 3-(2-carboxyethylthio)propanoic acid, Kyselina beta,beta'-thiodipropionova, ACMC-1BYQU, AC1Q5WGT, Opera_ID_1107, 3,3'-Thiodipropionicacid, Bis(2-carboxyethyl)sulfide, WLN: QV2S2VQ, EC 203-841-3, Propionic acid,3'-thiodi-, DSSTox_CID_24200, DSSTox_RID_80113, NCIOpen2_002942, Propanoic acid,3'-thiobis-, DSSTox_GSID_44200, SCHEMBL28696, 3,3\'-Thiodipropionic acid, 3,3'-Thiodi-Propionic acid, KSC493S0T, AC1L1Q98, Jsp000843, CHEMBL1569439, DTXSID8044200, CTK3J3909, KS-00000WSK, NSC8166, 3,3'-Thiodipropionic acid, 8CI, beta ,beta '-Thiodipropionic acid, HMS2358F24, 3,3'-Thiodipropionic acid, 97%, NSC-8166, ZINC1586443, Tox21_300987, ANW-16247, SBB057445, AKOS000120885, Diethyl sulfide b,b'-dicarboxylic acid, MCULE-1300073378, NE21508, RL00458, RTR-002231, TRA0086883, NCGC00092735-02, NCGC00254889-01, AK308469, AN-22647, CAS-111-17-1, E388, DB-060072, LS-124871, TR-002231, FT-0614101, ST50307952, 3065-EP2292597A1, 3065-EP2314584A1, I09-1189, Q-200336, F0264-0039, Z1258992416, InChI=1/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10, 3,3'-Thiodipropionic acid, polymer-bound, Thiodipropionic acid on DOWEX SBR resin., 20-50 mesh, extent of labeling: ~2.5 mmol/g S loading, Acide thiodipropionique, 3,3-Diphenylpropionitrile, 3,4-Thiodipropionic acid, C6H10O4S, beta,beta-Thiodipropionic acid, CID8096, 3,3'-Thiobis-nu[propanoic acid], C6-H10-O4-S, THIO-3,3'-DIPROPIONIC ACID, AR-1L2276, PROPANOIC ACID, 3,3'-THIOBIS, S006, T0204, C013298, 3,3'-Thiodipropionic acid, 99% - 2.5KG 2.5kg, 108-49-6, 7146-89-6,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.03g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.202g/mol
Monoisotopic Mass	178.03g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	99.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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