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116089-68-0 | Benzothiazole, 2-(diethylphosphinothioyl)-
CAS No: 116089-68-0 Catalog No: AG000BLD MDL No:
Product Description
Catalog Number:
AG000BLD
Chemical Name:
Benzothiazole, 2-(diethylphosphinothioyl)-
CAS Number:
116089-68-0
Molecular Formula:
C11H14NPS2
Molecular Weight:
255.3393
IUPAC Name:
1,3-benzothiazol-2-yl-diethyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C11H14NPS2/c1-3-13(14,4-2)11-12-9-7-5-6-8-10(9)15-11/h5-8H,3-4H2,1-2H3
InChI Key:
YQVFPDKCGHTTAQ-UHFFFAOYSA-N
SMILES:
CCP(=S)(c1nc2c(s1)cccc2)CC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.334g/mol
Monoisotopic Mass:
255.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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