ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione

C7H14O2S2 — CID 142054369

IUPACethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione
SMILESCC.COCC1CSC(=S)O1
InChIInChI=1S/C5H8O2S2.C2H6/c1-6-2-4-3-9-5(8)7-4;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyHGVNCOGFDUOSTF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.08
Rot. Bonds2

About ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione

ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione (PubChem CID 142054369) has the molecular formula C7H14O2S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Nameethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione
PubChem CID142054369
Molecular FormulaC7H14O2S2
Molecular Weight194.32 g/mol
Exact Mass194.04
IUPAC Nameethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione
SMILESCC.COCC1CSC(=S)O1
InChIInChI=1S/C5H8O2S2.C2H6/c1-6-2-4-3-9-5(8)7-4;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyHGVNCOGFDUOSTF-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-1,3-oxathiolane-2-thione
CID 14024146
5-(Propan-2-yloxymethyl)-1,3-oxathiolane-2-thione
CID 86200493
5-[(2-Methylpropan-2-yl)oxymethyl]-1,3-oxathiolane-2-thione
CID 138972464
5-Methyl-1,3-oxathiolane-2-thione
CID 11434975
5-(Isopropoxymethyl)-1,3-oxathiolane
CID 132277728
5-Butylthiomethyl-1,3-oxathiolane-2-thione
CID 166451159
(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione
CID 132992537
3,4-Dimethoxythiolane
CID 12349476
4,5-Dimethyl-1,3-oxathiolane-2-thione
CID 12411200
O-(2-propan-2-yloxyethyl) butylsulfanylmethanethioate
CID 19827500
O-(1-methoxypropan-2-yl) 1-methoxypropan-2-ylsulfanylmethanethioate
CID 19986551
5-Propyl-1,3-oxathiolane-2-thione
CID 20164717

Frequently Asked Questions

What is the IUPAC name of ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione?
The IUPAC name of ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione (CID 142054369) is ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione.
What is the SMILES notation for ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione?
The canonical SMILES for ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione is CC.COCC1CSC(=S)O1.
What is the InChIKey of ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione?
The InChIKey is HGVNCOGFDUOSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2.C2H6/c1-6-2-4-3-9-5(8)7-4;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione?
ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione has a molecular weight of 194.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methoxymethyl)-1,3-oxathiolane-2-thione is sourced from PubChem (CID 142054369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).