AG00EE8K

57658-21-6 | 3-(5-Mercapto-1,3,4-thiadiazol-2-ylthio)propionic acid

AG00EE8K

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CAS Number	57658-21-6
Catalog Number	AG00EE8K(AGN-PC-0K8IW4)
Chemical Name	3-(5-Mercapto-1,3,4-thiadiazol-2-ylthio)propionic acid
IUPAC Name	3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propanoic acid
InChI	InChI=1S/C5H6N2O2S3/c8-3(9)1-2-11-5-7-6-4(10)12-5/h1-2H2,(H,6,10)(H,8,9)
InChI Key	GJIWVACHHXLDQV-UHFFFAOYSA-N
MDL Number	MFCD03789236
Molecular Formula	C5H6N2O2S3
Molecular Weight	222.3083
SMILES	C(CSC1=NN=C(S)S1)C(=O)O
Synonyms	57658-21-6, 3-((5-Mercapto-1,3,4-thiadiazol-2-yl)thio)propanoic acid, 3-(5-mercapto-1,3,4-thiadiazol-2-ylthio)propionic acid, 3-[(5-mercapto-1,3,4-thiadiazol-2-yl)thio]propanoic acid, AO-780/25081016, 3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid, EN300-07340, 3-(5-mercapto-1,3,4-thiadiazol-2-ylthio)Propanoic acid, 3-(5-sulfanyl-1,3,4-thiadiazol-2-ylthio)propanoic acid, GJIWVACHHXLDQV-UHFFFAOYSA-N, AC1LVYIS, AC1Q75R5, SCHEMBL1962796, CTK5A7230, DTXSID80364910, HMS1783N01, ZINC5822495, SBB059518, AKOS000117015, MCULE-7811132684, BBV-40193099, FT-0613703, ST51044482, 3-(5-mercapto-1,3,4-thiadiazol-2-ylthio)-propionic acid, 3-[(5-mercapto-1,3,4-thiadiazol-2-yl)thio]propionic acid, 3-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)PROPIONICACID, 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propanoic acid, Propanoic acid,3-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-, 3-[(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid, 3- propionicacid, CID1714401,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.295g/mol
Monoisotopic Mass	221.959g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	144A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number