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222291-84-1 | 2-phenyl-2H-1,3,2-benzodithiazole
CAS No: 222291-84-1 Catalog No: AG01B6U3 MDL No:MFCD25961188
Product Description
Catalog Number:
AG01B6U3
Chemical Name:
2-phenyl-2H-1,3,2-benzodithiazole
CAS Number:
222291-84-1
Molecular Formula:
C12H9NS2
Molecular Weight:
231.3366
MDL Number:
MFCD25961188
IUPAC Name:
2-phenyl-1,3,2-benzodithiazole
InChI:
InChI=1S/C12H9NS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChI Key:
PXMZASWBVWPIHY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1Sc2c(S1)cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.331g/mol
Monoisotopic Mass:
231.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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