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19258-20-9 | 2,2'-Bibenzothiazole, 2,2',3,3'-tetrahydro-
CAS No: 19258-20-9 Catalog No: AG002G4H MDL No:MFCD00059699
Product Description
Catalog Number:
AG002G4H
Chemical Name:
2,2'-Bibenzothiazole, 2,2',3,3'-tetrahydro-
CAS Number:
19258-20-9
Molecular Formula:
C14H12N2S2
Molecular Weight:
272.3885
MDL Number:
MFCD00059699
IUPAC Name:
2-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C14H12N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13-16H
InChI Key:
LYPDJBMOMMJHAR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)SC(N2)C1Nc2c(S1)cccc2
NSC Number:
77506
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.384g/mol
Monoisotopic Mass:
272.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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