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73901-14-1 | 2(3H)-Benzothiazolimine,6-ethoxy-3-methyl-
CAS No: 73901-14-1 Catalog No: AG005AL8 MDL No:MFCD00652553
Product Description
Catalog Number:
AG005AL8
Chemical Name:
2(3H)-Benzothiazolimine,6-ethoxy-3-methyl-
CAS Number:
73901-14-1
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
MDL Number:
MFCD00652553
IUPAC Name:
6-ethoxy-3-methyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C10H12N2OS/c1-3-13-7-4-5-8-9(6-7)14-10(11)12(8)2/h4-6,11H,3H2,1-2H3
InChI Key:
ARNQIVIKMIRRBV-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(=N)n2C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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