6-ethyl-3,4,5-trimethyloxane-2-thiol

C10H20OS — CID 21362391

IUPAC6-ethyl-3,4,5-trimethyloxane-2-thiol
SMILESCCC1OC(S)C(C)C(C)C1C
InChIInChI=1S/C10H20OS/c1-5-9-7(3)6(2)8(4)10(12)11-9/h6-10,12H,5H2,1-4H3
InChIKeyJKPISQZRXWFGFI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.96
Rot. Bonds1

About 6-ethyl-3,4,5-trimethyloxane-2-thiol

6-ethyl-3,4,5-trimethyloxane-2-thiol (PubChem CID 21362391) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 6-ethyl-3,4,5-trimethyloxane-2-thiol.

Molecular Properties

Compound Name6-ethyl-3,4,5-trimethyloxane-2-thiol
PubChem CID21362391
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name6-ethyl-3,4,5-trimethyloxane-2-thiol
SMILESCCC1OC(S)C(C)C(C)C1C
InChIInChI=1S/C10H20OS/c1-5-9-7(3)6(2)8(4)10(12)11-9/h6-10,12H,5H2,1-4H3
InChIKeyJKPISQZRXWFGFI-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
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
6-Ethyl-3,4,5-trimethyloxane-2-thiolate;gold(1+)
CID 59102023
3-Propan-2-yloxane-2-thiol
CID 59261133
(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-thiol?
The IUPAC name of 6-ethyl-3,4,5-trimethyloxane-2-thiol (CID 21362391) is 6-ethyl-3,4,5-trimethyloxane-2-thiol.
What is the SMILES notation for 6-ethyl-3,4,5-trimethyloxane-2-thiol?
The canonical SMILES for 6-ethyl-3,4,5-trimethyloxane-2-thiol is CCC1OC(S)C(C)C(C)C1C.
What is the InChIKey of 6-ethyl-3,4,5-trimethyloxane-2-thiol?
The InChIKey is JKPISQZRXWFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-9-7(3)6(2)8(4)10(12)11-9/h6-10,12H,5H2,1-4H3.
What are the key properties of 6-ethyl-3,4,5-trimethyloxane-2-thiol?
6-ethyl-3,4,5-trimethyloxane-2-thiol has a molecular weight of 188.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4,5-trimethyloxane-2-thiol is sourced from PubChem (CID 21362391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).