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290-58-4 | 1,4-Thiazin-1-ium
CAS No: 290-58-4 Catalog No: AG002V62 MDL No:
Product Description
Catalog Number:
AG002V62
Chemical Name:
1,4-Thiazin-1-ium
CAS Number:
290-58-4
Molecular Formula:
C4H4NS+
Molecular Weight:
98.1463
IUPAC Name:
1,4-thiazin-1-ium
InChI:
InChI=1S/C4H4NS/c1-3-6-4-2-5-1/h1-4H/q+1
InChI Key:
SOHSCENYFIPHHW-UHFFFAOYSA-N
SMILES:
c1cncc[s+]1
Properties
Complexity:
34.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.006g/mol
Formal Charge:
1
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.143g/mol
Monoisotopic Mass:
98.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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