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118215-10-4 | Ethanethioamide, N-2-benzothiazolyl-N-methyl- (9CI)
CAS No: 118215-10-4 Catalog No: AG009NO8 MDL No:
Product Description
Catalog Number:
AG009NO8
Chemical Name:
Ethanethioamide, N-2-benzothiazolyl-N-methyl- (9CI)
CAS Number:
118215-10-4
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-N-methylethanethioamide
InChI:
InChI=1S/C10H10N2S2/c1-7(13)12(2)10-11-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3
InChI Key:
JFZIBYIZULCJIG-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.324g/mol
Monoisotopic Mass:
222.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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