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191272-99-8 | Ethanimidothioic acid, 2-(diethoxyphosphinyl)-, methyl ester
CAS No: 191272-99-8 Catalog No: AG002F5K MDL No:
Product Description
Catalog Number:
AG002F5K
Chemical Name:
Ethanimidothioic acid, 2-(diethoxyphosphinyl)-, methyl ester
CAS Number:
191272-99-8
Molecular Formula:
C7H16NO3PS
Molecular Weight:
225.2456
IUPAC Name:
methyl 2-diethoxyphosphorylethanimidothioate
InChI:
InChI=1S/C7H16NO3PS/c1-4-10-12(9,11-5-2)6-7(8)13-3/h8H,4-6H2,1-3H3
InChI Key:
OVUWBTCZGXIHHR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=N)SC)OCC
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.243g/mol
Monoisotopic Mass:
225.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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