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13604-13-2 | Benzothiazole, 2-(ethenylthio)- (9CI)
CAS No: 13604-13-2 Catalog No: AG009HA4 MDL No:
Product Description
Catalog Number:
AG009HA4
Chemical Name:
Benzothiazole, 2-(ethenylthio)- (9CI)
CAS Number:
13604-13-2
IUPAC Name:
2-ethenylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H7NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h2-6H,1H2
InChI Key:
UBPTXCHOFYAPNG-UHFFFAOYSA-N
NSC Number:
508091
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.282g/mol
Monoisotopic Mass:
193.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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