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30725-72-5 | Dithiophosphoric acid O,O-dimethyl S-(2-oxobenzothiazol-3(2H)-ylmethyl) ester
CAS No: 30725-72-5 Catalog No: AG00BRVZ MDL No:
Product Description
Catalog Number:
AG00BRVZ
Chemical Name:
Dithiophosphoric acid O,O-dimethyl S-(2-oxobenzothiazol-3(2H)-ylmethyl) ester
CAS Number:
30725-72-5
IUPAC Name:
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H12NO3PS3/c1-13-15(16,14-2)17-7-11-8-5-3-4-6-9(8)18-10(11)12/h3-6H,7H2,1-2H3
InChI Key:
DRPWJOLQCISWEU-UHFFFAOYSA-N
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.972g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.364g/mol
Monoisotopic Mass:
320.972g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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