(2S)-3-ethenylidene-2-methylthiolane

C7H10S — CID 129191537

IUPAC(2S)-3-ethenylidene-2-methylthiolane
SMILESC=C=C1CCS[C@H]1C
InChIInChI=1S/C7H10S/c1-3-7-4-5-8-6(7)2/h6H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyZHAFVBCTSYQCAY-LURJTMIESA-N
MW126.22 g/mol
LogP2.22
Rot. Bonds

About (2S)-3-ethenylidene-2-methylthiolane

(2S)-3-ethenylidene-2-methylthiolane (PubChem CID 129191537) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is (2S)-3-ethenylidene-2-methylthiolane.

Molecular Properties

Compound Name(2S)-3-ethenylidene-2-methylthiolane
PubChem CID129191537
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name(2S)-3-ethenylidene-2-methylthiolane
SMILESC=C=C1CCS[C@H]1C
InChIInChI=1S/C7H10S/c1-3-7-4-5-8-6(7)2/h6H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyZHAFVBCTSYQCAY-LURJTMIESA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethenylidene-2-methylthiolane?
The IUPAC name of (2S)-3-ethenylidene-2-methylthiolane (CID 129191537) is (2S)-3-ethenylidene-2-methylthiolane.
What is the SMILES notation for (2S)-3-ethenylidene-2-methylthiolane?
The canonical SMILES for (2S)-3-ethenylidene-2-methylthiolane is C=C=C1CCS[C@H]1C.
What is the InChIKey of (2S)-3-ethenylidene-2-methylthiolane?
The InChIKey is ZHAFVBCTSYQCAY-LURJTMIESA-N. The full InChI is InChI=1S/C7H10S/c1-3-7-4-5-8-6(7)2/h6H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-3-ethenylidene-2-methylthiolane?
(2S)-3-ethenylidene-2-methylthiolane has a molecular weight of 126.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethenylidene-2-methylthiolane is sourced from PubChem (CID 129191537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).