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27698-70-0 | Benzothiazole, 2-[3-(2-benzothiazolyl)-2-propen-1-ylidene]-2,3-dihydro-
CAS No: 27698-70-0 Catalog No: AG002UHO MDL No:
Product Description
Catalog Number:
AG002UHO
Chemical Name:
Benzothiazole, 2-[3-(2-benzothiazolyl)-2-propen-1-ylidene]-2,3-dihydro-
CAS Number:
27698-70-0
Molecular Formula:
C17H12N2S2
Molecular Weight:
308.4206
IUPAC Name:
2-[3-(3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole
InChI:
InChI=1S/C17H12N2S2/c1-3-8-14-12(6-1)18-16(20-14)10-5-11-17-19-13-7-2-4-9-15(13)21-17/h1-11,18H
InChI Key:
XCUFEVFJYDPTIO-UHFFFAOYSA-N
SMILES:
C(=Cc1sc2c(n1)cccc2)C=c1[nH]c2c(s1)cccc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.417g/mol
Monoisotopic Mass:
308.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.4
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