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13686-69-6 | Ethanamine, 2-[(4-nitrophenyl)dithio]-, hydrochloride (1:1)
CAS No: 13686-69-6 Catalog No: AG0012HM MDL No:
Product Description
Catalog Number:
AG0012HM
Chemical Name:
Ethanamine, 2-[(4-nitrophenyl)dithio]-, hydrochloride (1:1)
CAS Number:
13686-69-6
Molecular Formula:
C8H11ClN2O2S2
Molecular Weight:
266.7681
IUPAC Name:
2-[(4-nitrophenyl)disulfanyl]ethanamine
InChI:
InChI=1S/C8H10N2O2S2/c9-5-6-13-14-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6,9H2
InChI Key:
BDLCNNYZCYUGRS-UHFFFAOYSA-N
SMILES:
NCCSSc1ccc(cc1)[N+](=O)[O-].Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.3g/mol
Monoisotopic Mass:
230.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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