4-methoxythiane 1-oxide

C6H12O2S — CID 23093586

IUPAC4-methoxythiane 1-oxide
SMILESCOC1CCS(=O)CC1
InChIInChI=1S/C6H12O2S/c1-8-6-2-4-9(7)5-3-6/h6H,2-5H2,1H3
InChIKeyYDICUPFRJFIACX-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.54
Rot. Bonds1

About 4-methoxythiane 1-oxide

4-methoxythiane 1-oxide (PubChem CID 23093586) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 4-methoxythiane 1-oxide.

Molecular Properties

Compound Name4-methoxythiane 1-oxide
PubChem CID23093586
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name4-methoxythiane 1-oxide
SMILESCOC1CCS(=O)CC1
InChIInChI=1S/C6H12O2S/c1-8-6-2-4-9(7)5-3-6/h6H,2-5H2,1H3
InChIKeyYDICUPFRJFIACX-UHFFFAOYSA-N
XLogP0.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,4-oxathiane 4,4-dioxide
CID 2806244
2,3-Epoxypropyl butyl sulfoxide
CID 12525177
(1-Oxothian-3-yl) hypofluorite
CID 143261769
4-(Methanesulfonyl)oxytetrahydrothiopyran
CID 12420265
(6S)-6-methyl-1,3-oxathiane 3,3-dioxide
CID 134895195
(2S,3S,4R)-2,3-dimethyl-1,4-oxathiane 4-oxide
CID 134926172
(2S,3S,4S)-2,3-dimethyl-1,4-oxathiane 4-oxide
CID 134926173
cis-(1RS,3RS)-2-Methoxymethyl-1,3-dithiane 1,3-dioxide
CID 139066945
2-Methoxymethyl-2-methyl-[1,3]dithiane 1-oxide
CID 551880
(3R)-3-methoxythiane 1-oxide
CID 21609943
2,6-Dimethyl-1,4-oxathiane 4,4-dioxide
CID 242801
2-(Ethylsulfinylmethyl)oxirane
CID 13284952

Frequently Asked Questions

What is the IUPAC name of 4-methoxythiane 1-oxide?
The IUPAC name of 4-methoxythiane 1-oxide (CID 23093586) is 4-methoxythiane 1-oxide.
What is the SMILES notation for 4-methoxythiane 1-oxide?
The canonical SMILES for 4-methoxythiane 1-oxide is COC1CCS(=O)CC1.
What is the InChIKey of 4-methoxythiane 1-oxide?
The InChIKey is YDICUPFRJFIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-8-6-2-4-9(7)5-3-6/h6H,2-5H2,1H3.
What are the key properties of 4-methoxythiane 1-oxide?
4-methoxythiane 1-oxide has a molecular weight of 148.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxythiane 1-oxide is sourced from PubChem (CID 23093586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).