(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol

C8H16OS2 — CID 130737864

IUPAC(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol
SMILESCCC1([C@H](C)O)SCCCS1
InChIInChI=1S/C8H16OS2/c1-3-8(7(2)9)10-5-4-6-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyXEODTIGANXJTKZ-ZETCQYMHSA-N
MW192.35 g/mol
LogP2.34
Rot. Bonds2

About (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol

(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol (PubChem CID 130737864) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol
PubChem CID130737864
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol
SMILESCCC1([C@H](C)O)SCCCS1
InChIInChI=1S/C8H16OS2/c1-3-8(7(2)9)10-5-4-6-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyXEODTIGANXJTKZ-ZETCQYMHSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
1-[1,3]Dithian-2-ylpropan-2-ol
CID 601195
6,10-Dithiaspiro[4.5]decan-2-ol
CID 10965313
1,3-Dithiane-2-butanol
CID 12233632
2-(1-Hydroxybutyl)-2-methyl-1,3-dithian
CID 12476960
(alphaS)-alpha-Methyl-1,3-dithiane-2-ethanol
CID 11745201
2-(2-Methyl-1,3-dithian-2-yl)ethanol
CID 14508431
1-(Propylsulfanyl)pentan-2-ol
CID 65130016
1,3,5-Trithiane-2,4,6-triethanol, alpha2,alpha4,alpha6-trimethyl-
CID 44145154
2-Tert-butyl-1,3-dithian-5-ol
CID 303703
2-Pentanol, 1-t-butylthio-
CID 546590
(r)-3-Hydroxytetrahydrothiapyran
CID 7058058

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol?
The IUPAC name of (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol (CID 130737864) is (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol?
The canonical SMILES for (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol is CCC1([C@H](C)O)SCCCS1.
What is the InChIKey of (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol?
The InChIKey is XEODTIGANXJTKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16OS2/c1-3-8(7(2)9)10-5-4-6-11-8/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol?
(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol has a molecular weight of 192.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 130737864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).