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7686-65-9 | 1,2,4-Dithiazol-1-ium, 3-(dimethylamino)-5-(4-morpholinyl)-, sulfate(1:1)
CAS No: 7686-65-9 Catalog No: AG005HJ8 MDL No:
Product Description
Catalog Number:
AG005HJ8
Chemical Name:
1,2,4-Dithiazol-1-ium, 3-(dimethylamino)-5-(4-morpholinyl)-, sulfate(1:1)
CAS Number:
7686-65-9
Molecular Formula:
C8H15N3O5S3
Molecular Weight:
329.4168
IUPAC Name:
dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;hydrogen sulfate
InChI:
InChI=1S/C8H14N3OS2.H2O4S/c1-10(2)7-9-8(14-13-7)11-3-5-12-6-4-11;1-5(2,3)4/h3-6H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
UMWBGTROVCWCCE-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CN(c1nc([s+]s1)N1CCOCC1)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.404g/mol
Monoisotopic Mass:
329.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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