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164984-89-8 | Phosphonothioic acid, (1-amino-3-methylbutyl)- (9CI)
CAS No: 164984-89-8 Catalog No: AG001V72 MDL No:
Product Description
Catalog Number:
AG001V72
Chemical Name:
Phosphonothioic acid, (1-amino-3-methylbutyl)- (9CI)
CAS Number:
164984-89-8
Molecular Formula:
C5H14NO2PS
Molecular Weight:
183.2089
IUPAC Name:
1-dihydroxyphosphinothioyl-3-methylbutan-1-amine
InChI:
InChI=1S/C5H14NO2PS/c1-4(2)3-5(6)9(7,8)10/h4-5H,3,6H2,1-2H3,(H2,7,8,10)
InChI Key:
SZBPEJZUZSGUJS-UHFFFAOYSA-N
SMILES:
NC(P(=S)(O)O)CC(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.206g/mol
Monoisotopic Mass:
183.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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