cobalt(3+);oxane-2-thiolate

C5H9CoOS+2 — CID 156663958

IUPACcobalt(3+);oxane-2-thiolate
SMILES[Co+3].[S-]C1CCCCO1
InChIInChI=1S/C5H10OS.Co/c7-5-3-1-2-4-6-5;/h5,7H,1-4H2;/q;+3/p-1
InChIKeyCTZSDAKQEXJNGG-UHFFFAOYSA-M
MW176.13 g/mol
LogP1.06
Rot. Bonds

About cobalt(3+);oxane-2-thiolate

cobalt(3+);oxane-2-thiolate (PubChem CID 156663958) has the molecular formula C5H9CoOS+2 and a molecular weight of 176.13 g/mol. Its IUPAC name is cobalt(3+);oxane-2-thiolate.

Molecular Properties

Compound Namecobalt(3+);oxane-2-thiolate
PubChem CID156663958
Molecular FormulaC5H9CoOS+2
Molecular Weight176.13 g/mol
Exact Mass175.97
IUPAC Namecobalt(3+);oxane-2-thiolate
SMILES[Co+3].[S-]C1CCCCO1
InChIInChI=1S/C5H10OS.Co/c7-5-3-1-2-4-6-5;/h5,7H,1-4H2;/q;+3/p-1
InChIKeyCTZSDAKQEXJNGG-UHFFFAOYSA-M
XLogP1.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59102179
CID 59102179
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-methyloxane;hydrochloride
CID 141105834
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
CID 88679523
CID 88679523
tributyl(oxan-2-ylmethyl)germane
CID 12036528
1-(oxan-2-yloxy)ethylideneoxidanium
CID 162402096
2-methyloxane;propane
CID 171074580
chloro(oxan-2-yl)alumane
CID 173043592
oxan-2-yl(sulfanylidene)silane
CID 173279385
(2S)-2-tert-butyloxane
CID 118633229
(2R)-oxane-2-carbaldehyde
CID 12648700

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);oxane-2-thiolate?
The IUPAC name of cobalt(3+);oxane-2-thiolate (CID 156663958) is cobalt(3+);oxane-2-thiolate.
What is the SMILES notation for cobalt(3+);oxane-2-thiolate?
The canonical SMILES for cobalt(3+);oxane-2-thiolate is [Co+3].[S-]C1CCCCO1.
What is the InChIKey of cobalt(3+);oxane-2-thiolate?
The InChIKey is CTZSDAKQEXJNGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10OS.Co/c7-5-3-1-2-4-6-5;/h5,7H,1-4H2;/q;+3/p-1.
What are the key properties of cobalt(3+);oxane-2-thiolate?
cobalt(3+);oxane-2-thiolate has a molecular weight of 176.13 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);oxane-2-thiolate is sourced from PubChem (CID 156663958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).