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21085-45-0 | Phosphonothioic acid, P-methyl-, S-[2-(ethylthio)ethyl] O-pentyl ester
CAS No: 21085-45-0 Catalog No: AG002L14 MDL No:
Product Description
Catalog Number:
AG002L14
Chemical Name:
Phosphonothioic acid, P-methyl-, S-[2-(ethylthio)ethyl] O-pentyl ester
CAS Number:
21085-45-0
Molecular Formula:
C10H23O2PS2
Molecular Weight:
270.3922
IUPAC Name:
1-[2-ethylsulfanylethylsulfanyl(methyl)phosphoryl]oxypentane
InChI:
InChI=1S/C10H23O2PS2/c1-4-6-7-8-12-13(3,11)15-10-9-14-5-2/h4-10H2,1-3H3
InChI Key:
BJPZUURTWKXCEE-UHFFFAOYSA-N
SMILES:
CCCCCOP(=O)(SCCSCC)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.386g/mol
Monoisotopic Mass:
270.088g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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