2-(2-methyl-1,3-dithian-2-yl)ethanol

C7H14OS2 — CID 14508431

IUPAC2-(2-methyl-1,3-dithian-2-yl)ethanol
SMILESCC1(CCO)SCCCS1
InChIInChI=1S/C7H14OS2/c1-7(3-4-8)9-5-2-6-10-7/h8H,2-6H2,1H3
InChIKeyOOPSMDWRFZBJDS-UHFFFAOYSA-N
MW178.32 g/mol
LogP1.96
Rot. Bonds2

About 2-(2-methyl-1,3-dithian-2-yl)ethanol

2-(2-methyl-1,3-dithian-2-yl)ethanol (PubChem CID 14508431) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-dithian-2-yl)ethanol
PubChem CID14508431
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name2-(2-methyl-1,3-dithian-2-yl)ethanol
SMILESCC1(CCO)SCCCS1
InChIInChI=1S/C7H14OS2/c1-7(3-4-8)9-5-2-6-10-7/h8H,2-6H2,1H3
InChIKeyOOPSMDWRFZBJDS-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylthio)-1-butanol
CID 23039305
(2,2-Dimethyl-1,3-dithiolan-4-yl)methanol
CID 21893
1-Butanol, 4-(ethylthio)-
CID 283797
(2-Methyl[1,3]dithian-2-yl)methanol
CID 583620
1-[1,3]Dithian-2-ylpropan-2-ol
CID 601195
3-(1,3-Dithian-2-yl)propan-1-ol
CID 10866916
1,3-Dithiane-2-butanol
CID 12233632
(2-Methyl-1,3-dithiolan-4-yl)methanol
CID 474292
(1,3-Dithian-2-yl)methanol
CID 11240583
1,3-Dithian-5-ylmethanol
CID 11593461
(alphaS)-alpha-Methyl-1,3-dithiane-2-ethanol
CID 11745201
2-(1,3-Dithian-2-yl)ethan-1-ol
CID 12778191

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)ethanol (CID 14508431) is 2-(2-methyl-1,3-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-dithian-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-dithian-2-yl)ethanol is CC1(CCO)SCCCS1.
What is the InChIKey of 2-(2-methyl-1,3-dithian-2-yl)ethanol?
The InChIKey is OOPSMDWRFZBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS2/c1-7(3-4-8)9-5-2-6-10-7/h8H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dithian-2-yl)ethanol?
2-(2-methyl-1,3-dithian-2-yl)ethanol has a molecular weight of 178.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 14508431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).