1-methylidene-3-(2-propan-2-yloxyethyl)thiolane

C10H20OS — CID 167616471

IUPAC1-methylidene-3-(2-propan-2-yloxyethyl)thiolane
SMILESC=S1CCC(CCOC(C)C)C1
InChIInChI=1S/C10H20OS/c1-9(2)11-6-4-10-5-7-12(3)8-10/h9-10H,3-8H2,1-2H3
InChIKeyLUVXDOVDXMMGDH-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.52
Rot. Bonds4

About 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane

1-methylidene-3-(2-propan-2-yloxyethyl)thiolane (PubChem CID 167616471) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane.

Molecular Properties

Compound Name1-methylidene-3-(2-propan-2-yloxyethyl)thiolane
PubChem CID167616471
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-methylidene-3-(2-propan-2-yloxyethyl)thiolane
SMILESC=S1CCC(CCOC(C)C)C1
InChIInChI=1S/C10H20OS/c1-9(2)11-6-4-10-5-7-12(3)8-10/h9-10H,3-8H2,1-2H3
InChIKeyLUVXDOVDXMMGDH-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Oxathiolane, 2,2-diisopropyl-
CID 27656
(2S,3S,4S)-2-(butoxymethyl)-4-fluoro-3-methylthiolane
CID 71182265
2-Tert-butyl-5-propyl-1,3-oxathiolane
CID 101387766
2-Isobutyl-2-methyl-1,3-oxathiolane
CID 15192111
3-Methoxy-2-propan-2-ylthiolane
CID 20664836
2-(2,2-Dimethylpropylsulfanylmethyl)oxolane
CID 21060295
(2R,3R)-3-methoxy-2-propan-2-ylthiolane
CID 54572142
(2S,3S)-3-methoxy-2-propan-2-ylthiolane
CID 54572143
Oxolan-2-ylmethyl pentanedithioate
CID 57053848
(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane
CID 59628307
(2S,3R)-2-(butoxymethyl)-5-ethylsulfanyl-3-methyloxolane
CID 71082191
3-[2-(2,3-Dimethylbutan-2-ylsulfanyl)ethyl]oxolane
CID 90882584

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane?
The IUPAC name of 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane (CID 167616471) is 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane.
What is the SMILES notation for 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane?
The canonical SMILES for 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane is C=S1CCC(CCOC(C)C)C1.
What is the InChIKey of 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane?
The InChIKey is LUVXDOVDXMMGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-9(2)11-6-4-10-5-7-12(3)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane?
1-methylidene-3-(2-propan-2-yloxyethyl)thiolane has a molecular weight of 188.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-(2-propan-2-yloxyethyl)thiolane is sourced from PubChem (CID 167616471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).