5,6-diethyl-2-methyl-1,4-dithian-2-ol

C9H18OS2 — CID 58105787

IUPAC5,6-diethyl-2-methyl-1,4-dithian-2-ol
SMILESCCC1SCC(C)(O)SC1CC
InChIInChI=1S/C9H18OS2/c1-4-7-8(5-2)12-9(3,10)6-11-7/h7-8,10H,4-6H2,1-3H3
InChIKeyASNSMMICUXPKER-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.73
Rot. Bonds2

About 5,6-diethyl-2-methyl-1,4-dithian-2-ol

5,6-diethyl-2-methyl-1,4-dithian-2-ol (PubChem CID 58105787) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 5,6-diethyl-2-methyl-1,4-dithian-2-ol.

Molecular Properties

Compound Name5,6-diethyl-2-methyl-1,4-dithian-2-ol
PubChem CID58105787
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name5,6-diethyl-2-methyl-1,4-dithian-2-ol
SMILESCCC1SCC(C)(O)SC1CC
InChIInChI=1S/C9H18OS2/c1-4-7-8(5-2)12-9(3,10)6-11-7/h7-8,10H,4-6H2,1-3H3
InChIKeyASNSMMICUXPKER-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-diethyl-1,4-dithian-2-ol
CID 58105778
3-methyldithietan-3-ol
CID 156768091
(3aS,4R,5R,7R,8R,8aS)-5,7-diethyl-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
CID 54528686
3-ethylthietan-3-ol
CID 83681713
3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine
CID 123405478
3-(3-ethylcyclohexyl)-4,4-dimethylthian-3-ol
CID 79956343
(4R)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-2-ol
CID 167005513
(3aS,4S,6aR)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-2-ol
CID 149237539
(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622521
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
CID 66847688
(4S,5R)-5-ethyl-4-methylthiolan-2-ol
CID 118119174

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2-methyl-1,4-dithian-2-ol?
The IUPAC name of 5,6-diethyl-2-methyl-1,4-dithian-2-ol (CID 58105787) is 5,6-diethyl-2-methyl-1,4-dithian-2-ol.
What is the SMILES notation for 5,6-diethyl-2-methyl-1,4-dithian-2-ol?
The canonical SMILES for 5,6-diethyl-2-methyl-1,4-dithian-2-ol is CCC1SCC(C)(O)SC1CC.
What is the InChIKey of 5,6-diethyl-2-methyl-1,4-dithian-2-ol?
The InChIKey is ASNSMMICUXPKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2/c1-4-7-8(5-2)12-9(3,10)6-11-7/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 5,6-diethyl-2-methyl-1,4-dithian-2-ol?
5,6-diethyl-2-methyl-1,4-dithian-2-ol has a molecular weight of 206.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2-methyl-1,4-dithian-2-ol is sourced from PubChem (CID 58105787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).