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42047-12-1 | Benzothiazole, 2-(1,3-benzodithiol-2-ylidene)-2,3-dihydro-3-methyl- (9CI)
CAS No: 42047-12-1 Catalog No: AG00CPFE MDL No:
Product Description
Catalog Number:
AG00CPFE
Chemical Name:
Benzothiazole, 2-(1,3-benzodithiol-2-ylidene)-2,3-dihydro-3-methyl- (9CI)
CAS Number:
42047-12-1
IUPAC Name:
2-(1,3-benzodithiol-2-ylidene)-3-methyl-1,3-benzothiazole
InChI:
InChI=1S/C15H11NS3/c1-16-10-6-2-3-7-11(10)17-14(16)15-18-12-8-4-5-9-13(12)19-15/h2-9H,1H3
InChI Key:
OLNQYEMFZIZEAN-UHFFFAOYSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.44g/mol
Monoisotopic Mass:
301.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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