2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)

C15H36N2OS3Tc+4 — CID 10095541

IUPAC2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)
SMILESCCCCN(CCS)CCCC.CN(CCS)CCS.[O-2].[Tc+6]
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;;-2;+6
InChIKeyNRZZULAXZJYMKP-UHFFFAOYSA-N
MW454.67 g/mol
LogP3.47
Rot. Bonds12

About 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)

2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+) (PubChem CID 10095541) has the molecular formula C15H36N2OS3Tc+4 and a molecular weight of 454.67 g/mol. Its IUPAC name is 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+).

Molecular Properties

Compound Name2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)
PubChem CID10095541
Molecular FormulaC15H36N2OS3Tc+4
Molecular Weight454.67 g/mol
Exact Mass453.10
IUPAC Name2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)
SMILESCCCCN(CCS)CCCC.CN(CCS)CCS.[O-2].[Tc+6]
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;;-2;+6
InChIKeyNRZZULAXZJYMKP-UHFFFAOYSA-N
XLogP3.47
TPSA34.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.67
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+) with MolForge

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Related Compounds

9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
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
4-[hexyl(pentyl)amino]butane-1-thiol
CID 23362522
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
3-(dipropylamino)propane-1-thiol
CID 19031572
3-[hexyl(methyl)amino]propane-1-thiol
CID 23362422
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)?
The IUPAC name of 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+) (CID 10095541) is 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+).
What is the SMILES notation for 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)?
The canonical SMILES for 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+) is CCCCN(CCS)CCCC.CN(CCS)CCS.[O-2].[Tc+6].
What is the InChIKey of 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)?
The InChIKey is NRZZULAXZJYMKP-UHFFFAOYSA-N. 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;;-2;+6.
What are the key properties of 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)?
2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+) has a molecular weight of 454.67 g/mol, XLogP of 3.47, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+) is sourced from PubChem (CID 10095541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).