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129944-05-4 | 1,5-Diazocine-1,5(2H,8H)-diethanethiol, tetrahydro-
CAS No: 129944-05-4 Catalog No: AG000TT8 MDL No:
Product Description
Catalog Number:
AG000TT8
Chemical Name:
1,5-Diazocine-1,5(2H,8H)-diethanethiol, tetrahydro-
CAS Number:
129944-05-4
Molecular Formula:
C10H22N2S2
Molecular Weight:
234.4251
IUPAC Name:
2-[5-(2-sulfanylethyl)-1,5-diazocan-1-yl]ethanethiol
InChI:
InChI=1S/C10H22N2S2/c13-9-7-11-3-1-4-12(8-10-14)6-2-5-11/h13-14H,1-10H2
InChI Key:
WSOOQVLSFOUZDD-UHFFFAOYSA-N
SMILES:
SCCN1CCCN(CCC1)CCS
NSC Number:
684005
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.122g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.42g/mol
Monoisotopic Mass:
234.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
8.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Exhaustive oxidation of a nickel dithiolate complex: some mechanistic insights en route to sulfate formation. | Dalton transactions (Cambridge, England : 2003) 20120121 |
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