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87873-02-7 | Benzoselenazolium, 3-ethyl-2-(ethylthio)-5-methyl-, bromide
CAS No: 87873-02-7 Catalog No: AG004IVY MDL No:
Product Description
Catalog Number:
AG004IVY
Chemical Name:
Benzoselenazolium, 3-ethyl-2-(ethylthio)-5-methyl-, bromide
CAS Number:
87873-02-7
Molecular Formula:
C12H16BrNSSe
Molecular Weight:
365.1911
IUPAC Name:
3-ethyl-2-ethylsulfanyl-5-methyl-1,3-benzoselenazol-3-ium;bromide
InChI:
InChI=1S/C12H16NSSe.BrH/c1-4-13-10-8-9(3)6-7-11(10)15-12(13)14-5-2;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
AHAXCETUOCRIBQ-UHFFFAOYSA-M
SMILES:
CCSc1[se]c2c([n+]1CC)cc(cc2)C.[Br-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.935g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.202g/mol
Monoisotopic Mass:
364.935g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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