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25082-84-2 | Benzothiazole, 3-ethyl-2,3-dihydro-2-methylene-
CAS No: 25082-84-2 Catalog No: AG002QF4 MDL No:
Product Description
Catalog Number:
AG002QF4
Chemical Name:
Benzothiazole, 3-ethyl-2,3-dihydro-2-methylene-
CAS Number:
25082-84-2
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
IUPAC Name:
3-ethyl-2-methylidene-1,3-benzothiazole
InChI:
InChI=1S/C10H11NS/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,2-3H2,1H3
InChI Key:
PRDRWKWRZYHBKH-UHFFFAOYSA-N
SMILES:
CCn1c(=C)sc2c1cccc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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