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10225-09-9 | 4-Morpholinecarbodithioic acid, 2-benzothiazolyl ester
CAS No: 10225-09-9 Catalog No: AG000714 MDL No:
Product Description
Catalog Number:
AG000714
Chemical Name:
4-Morpholinecarbodithioic acid, 2-benzothiazolyl ester
CAS Number:
10225-09-9
Molecular Formula:
C12H12N2OS3
Molecular Weight:
296.4315
IUPAC Name:
1,3-benzothiazol-2-yl morpholine-4-carbodithioate
InChI:
InChI=1S/C12H12N2OS3/c16-12(14-5-7-15-8-6-14)18-11-13-9-3-1-2-4-10(9)17-11/h1-4H,5-8H2
InChI Key:
WZTCIIKTILGIIT-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)Sc1nc2c(s1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.421g/mol
Monoisotopic Mass:
296.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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