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88946-21-8 | 2-Benzothiazolesulfenamide, 6-ethoxy-N-methyl-
CAS No: 88946-21-8 Catalog No: AG0047J9 MDL No:
Product Description
Catalog Number:
AG0047J9
Chemical Name:
2-Benzothiazolesulfenamide, 6-ethoxy-N-methyl-
CAS Number:
88946-21-8
Molecular Formula:
C10H12N2OS2
Molecular Weight:
240.3451
IUPAC Name:
N-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methanamine
InChI:
InChI=1S/C10H12N2OS2/c1-3-13-7-4-5-8-9(6-7)14-10(12-8)15-11-2/h4-6,11H,3H2,1-2H3
InChI Key:
JKEHWMLBAQXACV-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)SNC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.339g/mol
Monoisotopic Mass:
240.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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