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149206-93-9 | Propanimidamide, 3-(phosphonothio)- (9CI)
CAS No: 149206-93-9 Catalog No: AG001LGJ MDL No:
Product Description
Catalog Number:
AG001LGJ
Chemical Name:
Propanimidamide, 3-(phosphonothio)- (9CI)
CAS Number:
149206-93-9
Molecular Formula:
C3H9N2O3PS
Molecular Weight:
184.1539
IUPAC Name:
(3-amino-3-iminopropyl)sulfanylphosphonic acid
InChI:
InChI=1S/C3H9N2O3PS/c4-3(5)1-2-10-9(6,7)8/h1-2H2,(H3,4,5)(H2,6,7,8)
InChI Key:
YTRAEXCLCYQLDM-UHFFFAOYSA-N
SMILES:
NC(=N)CCSP(=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:
-2.2
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