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797763-25-8 | Phosphonic acid, [(2-benzothiazolylsulfinyl)methyl]-, diethyl ester
CAS No: 797763-25-8 Catalog No: AG005HDN MDL No:
Product Description
Catalog Number:
AG005HDN
Chemical Name:
Phosphonic acid, [(2-benzothiazolylsulfinyl)methyl]-, diethyl ester
CAS Number:
797763-25-8
Molecular Formula:
C12H16NO4PS2
Molecular Weight:
333.3635
IUPAC Name:
2-(diethoxyphosphorylmethylsulfinyl)-1,3-benzothiazole
InChI:
InChI=1S/C12H16NO4PS2/c1-3-16-18(14,17-4-2)9-20(15)12-13-10-7-5-6-8-11(10)19-12/h5-8H,3-4,9H2,1-2H3
InChI Key:
VASGESZALXCRBY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CS(=O)c1nc2c(s1)cccc2)OCC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.357g/mol
Monoisotopic Mass:
333.026g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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