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68198-45-8 | 1,3-Thiazin-1-ium, 2-(methylthio)-4,6-diphenyl-, perchlorate
CAS No: 68198-45-8 Catalog No: AG006D6K MDL No:
Product Description
Catalog Number:
AG006D6K
Chemical Name:
1,3-Thiazin-1-ium, 2-(methylthio)-4,6-diphenyl-, perchlorate
CAS Number:
68198-45-8
Molecular Formula:
C17H14ClNO4S2
Molecular Weight:
395.8804
IUPAC Name:
2-methylsulfanyl-4,6-diphenyl-1,3-thiazin-1-ium;perchlorate
InChI:
InChI=1S/C17H14NS2.ClHO4/c1-19-17-18-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DVZUIWAVJCZGSN-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CSc1nc(cc([s+]1)c1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.005g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.872g/mol
Monoisotopic Mass:
395.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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