2-(1,3-dioxan-2-yl)ethanethiol

C6H12O2S — CID 6326934

IUPAC2-(1,3-dioxan-2-yl)ethanethiol
SMILESSCCC1OCCCO1
InChIInChI=1S/C6H12O2S/c9-5-2-6-7-3-1-4-8-6/h6,9H,1-5H2
InChIKeyGVXMTHCFBSTRFI-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.07
Rot. Bonds2

About 2-(1,3-dioxan-2-yl)ethanethiol

2-(1,3-dioxan-2-yl)ethanethiol (PubChem CID 6326934) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)ethanethiol
PubChem CID6326934
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name2-(1,3-dioxan-2-yl)ethanethiol
SMILESSCCC1OCCCO1
InChIInChI=1S/C6H12O2S/c9-5-2-6-7-3-1-4-8-6/h6,9H,1-5H2
InChIKeyGVXMTHCFBSTRFI-UHFFFAOYSA-N
XLogP1.07
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
5-(1,3-dioxolan-2-yl)pentane-1-thiol
CID 154809639
2-[2-(1,3-dioxan-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol
CID 66472309
2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxane
CID 11806600
7-(1,3-dioxan-2-yl)-5-[2-(1,3-dioxan-2-yl)ethyl]heptane-1,5-diol
CID 67190127
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
CID 69028218
2-(2-bromoethyl)-1,3-dioxane;pentane
CID 174799971
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-one
CID 44603818
2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
CID 67192270

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)ethanethiol?
The IUPAC name of 2-(1,3-dioxan-2-yl)ethanethiol (CID 6326934) is 2-(1,3-dioxan-2-yl)ethanethiol.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)ethanethiol?
The canonical SMILES for 2-(1,3-dioxan-2-yl)ethanethiol is SCCC1OCCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)ethanethiol?
The InChIKey is GVXMTHCFBSTRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c9-5-2-6-7-3-1-4-8-6/h6,9H,1-5H2.
What are the key properties of 2-(1,3-dioxan-2-yl)ethanethiol?
2-(1,3-dioxan-2-yl)ethanethiol has a molecular weight of 148.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)ethanethiol is sourced from PubChem (CID 6326934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).