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89046-24-2 | Benzothiazolium, 3-(2-propenyl)-
CAS No: 89046-24-2 Catalog No: AG0087VK MDL No:
Product Description
Catalog Number:
AG0087VK
Chemical Name:
Benzothiazolium, 3-(2-propenyl)-
CAS Number:
89046-24-2
Molecular Formula:
C10H10NS+
Molecular Weight:
176.2581
IUPAC Name:
3-prop-2-enyl-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C10H10NS/c1-2-7-11-8-12-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2/q+1
InChI Key:
WNZPREQNKMMHIC-UHFFFAOYSA-N
SMILES:
C=CC[n+]1csc2c1cccc2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.053g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.257g/mol
Monoisotopic Mass:
176.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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