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23146-96-5 | 1,3-Thiazin-1-ium (8CI,9CI)
CAS No: 23146-96-5 Catalog No: AG002MDD MDL No:
Product Description
Catalog Number:
AG002MDD
Chemical Name:
1,3-Thiazin-1-ium (8CI,9CI)
CAS Number:
23146-96-5
Molecular Formula:
C4H4NS+
Molecular Weight:
98.1463
IUPAC Name:
1,3-thiazin-1-ium
InChI:
InChI=1S/C4H4NS/c1-2-5-4-6-3-1/h1-4H/q+1
InChI Key:
WDSDOLCCRAJIII-UHFFFAOYSA-N
SMILES:
c1cc[s+]cn1
Properties
Complexity:
38.5
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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