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7397-67-3

7397-67-3 | 1,3,4-Oxadiazolium, 3-methyl-5-(methylthio)-2-phenyl-, iodide

CAS No: 7397-67-3 Catalog No: AG005AG5 MDL No:

Product Description

Catalog Number:
AG005AG5
Chemical Name:
1,3,4-Oxadiazolium, 3-methyl-5-(methylthio)-2-phenyl-, iodide
CAS Number:
7397-67-3
Molecular Formula:
C10H11IN2OS
Molecular Weight:
334.1766
IUPAC Name:
3-methyl-5-methylsulfanyl-2-phenyl-1,3,4-oxadiazol-3-ium;iodide
InChI:
InChI=1S/C10H11N2OS.HI/c1-12-9(13-10(11-12)14-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H/q+1;/p-1
InChI Key:
OWCPAPZSAFSWTI-UHFFFAOYSA-M
SMILES:
CSc1oc([n+](n1)C)c1ccccc1.[I-]

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.175g/mol
Monoisotopic Mass:
333.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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