AG003UB0

49625-94-7 | Sodium 3-(benzo[d]thiazol-2-ylthio)propane-1-sulfonate

AG003UB0

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CAS Number	49625-94-7
Catalog Number	AG003UB0(AGN-PC-0S3TUE)
Chemical Name	Sodium 3-(benzo[d]thiazol-2-ylthio)propane-1-sulfonate
EC Number	256-401-8
IUPAC Name	sodium;3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate
InChI	InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1
InChI Key	VRKNGZAPJYUNSN-UHFFFAOYSA-M
MDL Number	MFCD00043131
Molecular Formula	C10H10NNaO3S3
Molecular Weight	311.3761
SMILES	O=S(CCCSC1=NC2=CC=CC=C2S1)([O-])=O.[Na+]
Synonyms	49625-94-7, Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate, Sodium 3-(benzo[d]thiazol-2-ylthio)propane-1-sulfonate, 1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, sodium salt, sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate, 1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, sodium salt (1:1), W-106018, 3-(Benzothiazol-2-ylthio)-1-propanesulfonic acid sodium salt, ZPS, 3-benzothiazol-2-ylthiopropanesulfonic acid, sodium salt, 3-(2-benzthiazolylthio)-1-propanesulfonic acid sodium salt, Sodium 3-(benzothiazol-2-ylthio)propanesulphonate, EINECS 256-401-8, AC1NNNQ1, AC1Q1VJ7, C10H10NO3S3.Na, SCHEMBL565101, DTXSID7068500, CTK4J1470, 7695AH, MFCD00043131, SBB057781, AKOS015912782, TRA0030116, 2-(3-Sodiosulfopropylthio)benzothiazole, ACM49625947, FT-0639873, ST51006983, A827777, I14-4733, sodium 3-(1,3-benzothiazol-2-ylthio)-1-propanesulfonate, 3-(2-Benzthiazolylthio)-1-propanesulfonic acid, sodium salt, 1-Propanesulfonic acid,3-(2-benzothiazolylthio)-, sodium salt (1:1), Sodium 3-(benzothiazol-2-ylthio)-1-propanesulfonate, technical, >=90% (NT), C10H11NO3S3.Na, C10-H11-N-O3-S3.Na, AR-1L4635, AR-1L4636, CID162568, CID5073964, 54472-41-2, 54472-56-9,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.972g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	311.364g/mol
Monoisotopic Mass	310.972g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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