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90600-83-2 | 4H-1,3-Thiazinium, 2-(methylthio)-3-(2-phenylethyl)-, iodide
CAS No: 90600-83-2 Catalog No: AG006CDP MDL No:
Product Description
Catalog Number:
AG006CDP
Chemical Name:
4H-1,3-Thiazinium, 2-(methylthio)-3-(2-phenylethyl)-, iodide
CAS Number:
90600-83-2
Molecular Formula:
C13H16INS2
Molecular Weight:
377.3073
IUPAC Name:
2-methylsulfanyl-3-(2-phenylethyl)-4H-1,3-thiazin-3-ium;iodide
InChI:
InChI=1S/C13H16NS2.HI/c1-15-13-14(9-5-11-16-13)10-8-12-6-3-2-4-7-12;/h2-7,11H,8-10H2,1H3;1H/q+1;/p-1
InChI Key:
SGJOQBIMPYXXRT-UHFFFAOYSA-M
SMILES:
CSC1=[N+](CC=CS1)CCc1ccccc1.[I-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.977g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.302g/mol
Monoisotopic Mass:
376.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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