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120182-46-9 | Ethanethiol, 2-[(7-aminoheptyl)amino]-, dihydrogen phosphate (ester) (9CI)
CAS No: 120182-46-9 Catalog No: AG000QIG MDL No:
Product Description
Catalog Number:
AG000QIG
Chemical Name:
Ethanethiol, 2-[(7-aminoheptyl)amino]-, dihydrogen phosphate (ester) (9CI)
CAS Number:
120182-46-9
Molecular Formula:
C9H21N2O3PS---
Molecular Weight:
268.3134
IUPAC Name:
N'-(2-dihydroxyphosphinothioyloxyethyl)heptane-1,7-diamine
InChI:
InChI=1S/C9H23N2O3PS/c10-6-4-2-1-3-5-7-11-8-9-14-15(12,13)16/h11H,1-10H2,(H2,12,13,16)
InChI Key:
QEZNCSPGVRTFHP-UHFFFAOYSA-N
SMILES:
NCCCCCCCNCC[S]=P([O-])([O-])[O-]
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.117g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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