bis(2-hydroxyethanethiolate);oxotechnetium

C4H10O3S2Tc-2 — CID 5247019

IUPACbis(2-hydroxyethanethiolate);oxotechnetium
SMILESO=[Tc].OCC[S-].OCC[S-]
InChIInChI=1S/2C2H6OS.O.Tc/c2*3-1-2-4;;/h2*3-4H,1-2H2;;/p-2
InChIKeyLKPNPMKMZKNSQN-UHFFFAOYSA-L
MW268.25 g/mol
LogP-1.07
Rot. Bonds2

About bis(2-hydroxyethanethiolate);oxotechnetium

bis(2-hydroxyethanethiolate);oxotechnetium (PubChem CID 5247019) has the molecular formula C4H10O3S2Tc-2 and a molecular weight of 268.25 g/mol. Its IUPAC name is bis(2-hydroxyethanethiolate);oxotechnetium.

Molecular Properties

Compound Namebis(2-hydroxyethanethiolate);oxotechnetium
PubChem CID5247019
Molecular FormulaC4H10O3S2Tc-2
Molecular Weight268.25 g/mol
Exact Mass266.91
IUPAC Namebis(2-hydroxyethanethiolate);oxotechnetium
SMILESO=[Tc].OCC[S-].OCC[S-]
InChIInChI=1S/2C2H6OS.O.Tc/c2*3-1-2-4;;/h2*3-4H,1-2H2;;/p-2
InChIKeyLKPNPMKMZKNSQN-UHFFFAOYSA-L
XLogP-1.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethanethiolate);oxotechnetium?
The IUPAC name of bis(2-hydroxyethanethiolate);oxotechnetium (CID 5247019) is bis(2-hydroxyethanethiolate);oxotechnetium.
What is the SMILES notation for bis(2-hydroxyethanethiolate);oxotechnetium?
The canonical SMILES for bis(2-hydroxyethanethiolate);oxotechnetium is O=[Tc].OCC[S-].OCC[S-].
What is the InChIKey of bis(2-hydroxyethanethiolate);oxotechnetium?
The InChIKey is LKPNPMKMZKNSQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6OS.O.Tc/c2*3-1-2-4;;/h2*3-4H,1-2H2;;/p-2.
What are the key properties of bis(2-hydroxyethanethiolate);oxotechnetium?
bis(2-hydroxyethanethiolate);oxotechnetium has a molecular weight of 268.25 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethanethiolate);oxotechnetium is sourced from PubChem (CID 5247019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).