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89045-81-8 | 2(3H)-Benzothiazolethione, 3-(chloromethyl)-6-ethoxy-
CAS No: 89045-81-8 Catalog No: AG00421M MDL No:
Product Description
Catalog Number:
AG00421M
Chemical Name:
2(3H)-Benzothiazolethione, 3-(chloromethyl)-6-ethoxy-
CAS Number:
89045-81-8
Molecular Formula:
C10H10ClNOS2
Molecular Weight:
259.7755
IUPAC Name:
3-(chloromethyl)-6-ethoxy-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C10H10ClNOS2/c1-2-13-7-3-4-8-9(5-7)15-10(14)12(8)6-11/h3-5H,2,6H2,1H3
InChI Key:
ZNHONGGXDZRZDV-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(=S)n2CCl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.766g/mol
Monoisotopic Mass:
258.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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