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106184-39-8 | Benzothiazolium, 2-(methylthio)-3-(2-propenyl)-, iodide
CAS No: 106184-39-8 Catalog No: AG007DJY MDL No:
Product Description
Catalog Number:
AG007DJY
Chemical Name:
Benzothiazolium, 2-(methylthio)-3-(2-propenyl)-, iodide
CAS Number:
106184-39-8
Molecular Formula:
C11H12INS2
Molecular Weight:
349.2541
IUPAC Name:
2-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C11H12NS2.HI/c1-3-8-12-9-6-4-5-7-10(9)14-11(12)13-2;/h3-7H,1,8H2,2H3;1H/q+1;/p-1
InChI Key:
SOOWKFRFCMIPKS-UHFFFAOYSA-M
SMILES:
C=CC[n+]1c(SC)sc2c1cccc2.[I-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.248g/mol
Monoisotopic Mass:
348.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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