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74038-42-9

74038-42-9 | ETHYLTHIOMETHYL-PHOSPHONIC ACID DIBUTYL ESTER

CAS No: 74038-42-9 Catalog No: AG005I7A MDL No:

Product Description

Catalog Number:
AG005I7A
Chemical Name:
ETHYLTHIOMETHYL-PHOSPHONIC ACID DIBUTYL ESTER
CAS Number:
74038-42-9
Molecular Formula:
C11H25O3PS
Molecular Weight:
268.3532
IUPAC Name:
1-[butoxy(ethylsulfanylmethyl)phosphoryl]oxybutane
InChI:
InChI=1S/C11H25O3PS/c1-4-7-9-13-15(12,11-16-6-3)14-10-8-5-2/h4-11H2,1-3H3
InChI Key:
VTHBDGDHZUFKMP-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(OCCCC)CSCC
NSC Number:
194822

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.352g/mol
Monoisotopic Mass:
268.126g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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