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51000-30-7 | 1,3,4-Thiadiazolium, 2-methyl-5-(methylthio)-3-phenyl-, iodide
CAS No: 51000-30-7 Catalog No: AG006V0T MDL No:
Product Description
Catalog Number:
AG006V0T
Chemical Name:
1,3,4-Thiadiazolium, 2-methyl-5-(methylthio)-3-phenyl-, iodide
CAS Number:
51000-30-7
Molecular Formula:
C10H11IN2S2
Molecular Weight:
350.2422
IUPAC Name:
2-methyl-5-methylsulfanyl-3-phenyl-1,3,4-thiadiazol-3-ium;iodide
InChI:
InChI=1S/C10H11N2S2.HI/c1-8-12(11-10(13-2)14-8)9-6-4-3-5-7-9;/h3-7H,1-2H3;1H/q+1;/p-1
InChI Key:
FUWZZZKNRQAKAX-UHFFFAOYSA-M
SMILES:
CSc1n[n+](c(s1)C)c1ccccc1.[I-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.941g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.236g/mol
Monoisotopic Mass:
349.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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