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188649-76-5 | Phosphonothioic acid, (1-aminoethyl)- (9CI)
CAS No: 188649-76-5 Catalog No: AG002H30 MDL No:
Product Description
Catalog Number:
AG002H30
Chemical Name:
Phosphonothioic acid, (1-aminoethyl)- (9CI)
CAS Number:
188649-76-5
Molecular Formula:
C2H8NO2PS
Molecular Weight:
141.1292
IUPAC Name:
1-dihydroxyphosphinothioylethanamine
InChI:
InChI=1S/C2H8NO2PS/c1-2(3)6(4,5)7/h2H,3H2,1H3,(H2,4,5,7)
InChI Key:
MZBJETBJGMAQSM-UHFFFAOYSA-N
SMILES:
CC(P(=S)(O)O)N
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.001g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
141.125g/mol
Monoisotopic Mass:
141.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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