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17808-29-6 | Phosphoramidothioic acid, S-methyl ester
CAS No: 17808-29-6 Catalog No: AG0025RA MDL No:
Product Description
Catalog Number:
AG0025RA
Chemical Name:
Phosphoramidothioic acid, S-methyl ester
CAS Number:
17808-29-6
Molecular Formula:
CH5NO2PS-
Molecular Weight:
126.0947
IUPAC Name:
amino(methylsulfanyl)phosphinate
InChI:
InChI=1S/CH6NO2PS/c1-6-5(2,3)4/h1H3,(H3,2,3,4)/p-1
InChI Key:
JPIRZTTVWDUYBM-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(SC)N
Properties
Complexity:
75.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.978g/mol
Formal Charge:
-1
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.09g/mol
Monoisotopic Mass:
125.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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