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114119-65-2 | Carbamimidothioic acid, 2-phosphonoethyl ester
CAS No: 114119-65-2 Catalog No: AG000AM3 MDL No:
Product Description
Catalog Number:
AG000AM3
Chemical Name:
Carbamimidothioic acid, 2-phosphonoethyl ester
CAS Number:
114119-65-2
Molecular Formula:
C3H9N2O3PS
Molecular Weight:
184.1539
IUPAC Name:
2-carbamimidoylsulfanylethylphosphonic acid
InChI:
InChI=1S/C3H9N2O3PS/c4-3(5)10-2-1-9(6,7)8/h1-2H2,(H3,4,5)(H2,6,7,8)
InChI Key:
ZWRMEEDOCLBUEU-UHFFFAOYSA-N
SMILES:
NC(=N)SCCP(=O)(O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.007g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.15g/mol
Monoisotopic Mass:
184.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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