oxan-2-yloxymethanethiol

C6H12O2S — CID 59515178

IUPACoxan-2-yloxymethanethiol
SMILESSCOC1CCCCO1
InChIInChI=1S/C6H12O2S/c9-5-8-6-3-1-2-4-7-6/h6,9H,1-5H2
InChIKeyFEDUCDSYQXTDRI-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.42
Rot. Bonds2

About oxan-2-yloxymethanethiol

oxan-2-yloxymethanethiol (PubChem CID 59515178) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is oxan-2-yloxymethanethiol.

Molecular Properties

Compound Nameoxan-2-yloxymethanethiol
PubChem CID59515178
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Nameoxan-2-yloxymethanethiol
SMILESSCOC1CCCCO1
InChIInChI=1S/C6H12O2S/c9-5-8-6-3-1-2-4-7-6/h6,9H,1-5H2
InChIKeyFEDUCDSYQXTDRI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methoxytetrahydropyran
CID 23057
2-Ethoxyoxane
CID 256818
2H-Pyran, tetrahydro-2,6-dimethoxy-
CID 110907
(s)-2-Methoxytetrahydropyran
CID 12526342
2-(Tetrahydro-pyran-2-yloxy)-ethanethiol
CID 14411018
(2R)-2-methoxyoxane
CID 643470
(2R,6S)-2,6-Dimethoxyoxane
CID 12740267
(2R,6R)-2,6-dimethoxyoxane
CID 12740268
3-[3-(Oxan-2-yloxy)propoxy]propane-1-thiol
CID 19901078
5-[5-(Oxan-2-yloxy)pentoxy]pentane-1-thiol
CID 19901107
2-(Methylsulfanylmethoxy)oxane
CID 54352624
3-(Oxan-2-yloxy)propane-1-thiol
CID 57429252

Frequently Asked Questions

What is the IUPAC name of oxan-2-yloxymethanethiol?
The IUPAC name of oxan-2-yloxymethanethiol (CID 59515178) is oxan-2-yloxymethanethiol.
What is the SMILES notation for oxan-2-yloxymethanethiol?
The canonical SMILES for oxan-2-yloxymethanethiol is SCOC1CCCCO1.
What is the InChIKey of oxan-2-yloxymethanethiol?
The InChIKey is FEDUCDSYQXTDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c9-5-8-6-3-1-2-4-7-6/h6,9H,1-5H2.
What are the key properties of oxan-2-yloxymethanethiol?
oxan-2-yloxymethanethiol has a molecular weight of 148.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yloxymethanethiol is sourced from PubChem (CID 59515178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).