6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)

C10H19AuOS — CID 59102023

IUPAC6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)
SMILESCCC1OC([S-])C(C)C(C)C1C.[Au+]
InChIInChI=1S/C10H20OS.Au/c1-5-9-7(3)6(2)8(4)10(12)11-9;/h6-10,12H,5H2,1-4H3;/q;+1/p-1
InChIKeyUTDKVBWAVBJNBW-UHFFFAOYSA-M
MW384.30 g/mol
LogP2.57
Rot. Bonds1

About 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)

6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+) (PubChem CID 59102023) has the molecular formula C10H19AuOS and a molecular weight of 384.30 g/mol. Its IUPAC name is 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+).

Molecular Properties

Compound Name6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)
PubChem CID59102023
Molecular FormulaC10H19AuOS
Molecular Weight384.30 g/mol
Exact Mass384.08
IUPAC Name6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)
SMILESCCC1OC([S-])C(C)C(C)C1C.[Au+]
InChIInChI=1S/C10H20OS.Au/c1-5-9-7(3)6(2)8(4)10(12)11-9;/h6-10,12H,5H2,1-4H3;/q;+1/p-1
InChIKeyUTDKVBWAVBJNBW-UHFFFAOYSA-M
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 52.57
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

2-methyl-1-[(4R)-4-methyloxan-2-yl]propane-1-thiol
CID 137518871
(4R)-4-methyl-2-(2-methyl-1-methylsulfanylpropyl)oxane
CID 137537232
Dithiathromboxane
CID 54300414
Thiathromboxane
CID 129733290
3,4,5-Trimethyl-2-methylsulfanyl-6-propan-2-yloxane
CID 20660408
6-Ethyl-3,4,5-trimethyloxane-2-thiol
CID 21362391
2,4-Di(propan-2-yl)oxane
CID 21482446
4-Cyclohexyl-4-(oxan-2-yl)butane-1-thiol
CID 57078502
8-Methyl-5-(oxan-2-yl)nonane-1-thiol
CID 57295552
2-Ethyl-3,4,5-trimethyloxane
CID 58669422
(4S)-2-ethyl-4,5-dimethyloxane
CID 59920802
2-Ethyl-4,5-dimethyloxane
CID 60022980

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)?
The IUPAC name of 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+) (CID 59102023) is 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+).
What is the SMILES notation for 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)?
The canonical SMILES for 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+) is CCC1OC([S-])C(C)C(C)C1C.[Au+].
What is the InChIKey of 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)?
The InChIKey is UTDKVBWAVBJNBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20OS.Au/c1-5-9-7(3)6(2)8(4)10(12)11-9;/h6-10,12H,5H2,1-4H3;/q;+1/p-1.
What are the key properties of 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)?
6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+) has a molecular weight of 384.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+) is sourced from PubChem (CID 59102023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).