2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)

C15H33N2OS3Tc — CID 10813519

IUPAC2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
SMILESCCCCN(CC[S-])CCCC.CN(CC[S-])CC[S-].O=[Tc+3]
InChIInChI=1S/C10H23NS.C5H13NS2.O.Tc/c1-3-5-7-11(9-10-12)8-6-4-2;1-6(2-4-7)3-5-8;;/h12H,3-10H2,1-2H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3
InChIKeyCMWQIADOVAIOLF-UHFFFAOYSA-K
MW451.64 g/mol
LogP2.33
Rot. Bonds12

About 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)

2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) (PubChem CID 10813519) has the molecular formula C15H33N2OS3Tc and a molecular weight of 451.64 g/mol. Its IUPAC name is 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+).

Molecular Properties

Compound Name2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
PubChem CID10813519
Molecular FormulaC15H33N2OS3Tc
Molecular Weight451.64 g/mol
Exact Mass450.08
IUPAC Name2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
SMILESCCCCN(CC[S-])CCCC.CN(CC[S-])CC[S-].O=[Tc+3]
InChIInChI=1S/C10H23NS.C5H13NS2.O.Tc/c1-3-5-7-11(9-10-12)8-6-4-2;1-6(2-4-7)3-5-8;;/h12H,3-10H2,1-2H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3
InChIKeyCMWQIADOVAIOLF-UHFFFAOYSA-K
XLogP2.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

8-(diethylamino)octane-1-thiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)
CID 23276515
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)
CID 10095541
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-methylpentan-1-amine
CID 54060013
N-butyl-N-undecyldodecan-1-amine
CID 168880724

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
The IUPAC name of 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) (CID 10813519) is 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+).
What is the SMILES notation for 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
The canonical SMILES for 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) is CCCCN(CC[S-])CCCC.CN(CC[S-])CC[S-].O=[Tc+3].
What is the InChIKey of 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
The InChIKey is CMWQIADOVAIOLF-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H23NS.C5H13NS2.O.Tc/c1-3-5-7-11(9-10-12)8-6-4-2;1-6(2-4-7)3-5-8;;/h12H,3-10H2,1-2H3;7-8H,2-5H2,1H3;;/q;;;+3/p-3.
What are the key properties of 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+)?
2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) has a molecular weight of 451.64 g/mol, XLogP of 2.33, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethanethiolate;2-[methyl(2-sulfidoethyl)amino]ethanethiolate;oxotechnetium(3+) is sourced from PubChem (CID 10813519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).