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49625-94-7 | Sodium 3-(benzo[d]thiazol-2-ylthio)propane-1-sulfonate
CAS No: 49625-94-7 Catalog No: AG003UB0 MDL No:MFCD00043131
Product Description
Catalog Number:
AG003UB0
Chemical Name:
Sodium 3-(benzo[d]thiazol-2-ylthio)propane-1-sulfonate
CAS Number:
49625-94-7
Molecular Formula:
C10H10NNaO3S3
Molecular Weight:
311.3761
MDL Number:
MFCD00043131
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
SMILES:
[O-]S(=O)(=O)CCCSc1nc2c(s1)cccc2.[Na+]
EC Number:
256-401-8
Properties
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
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