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10049-83-9 | 4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-, hydrochloride (1:2)
CAS No: 10049-83-9 Catalog No: AG000245 MDL No:MFCD00057357
Product Description
Catalog Number:
AG000245
Chemical Name:
4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-, hydrochloride (1:2)
CAS Number:
10049-83-9
Molecular Formula:
C16H22Cl2N2O4S2
Molecular Weight:
441.3929
MDL Number:
MFCD00057357
IUPAC Name:
5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
InChI:
InChI=1S/C16H20N2O4S2.2ClH/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;2*1H
InChI Key:
HRZWYHGGJOWGRI-UHFFFAOYSA-N
SMILES:
OCc1c(CSSCc2cnc(c(c2CO)O)C)cnc(c1O)C.Cl.Cl
EC Number:
233-178-5
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.04g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
441.382g/mol
Monoisotopic Mass:
440.04g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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