(3Z)-3-ethylidene-2-methylthiolane

C7H12S — CID 88988819

IUPAC(3Z)-3-ethylidene-2-methylthiolane
SMILESC/C=C1/CCSC1C
InChIInChI=1S/C7H12S/c1-3-7-4-5-8-6(7)2/h3,6H,4-5H2,1-2H3/b7-3-
InChIKeyTWLVRIQCFIMCQP-CLTKARDFSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds

About (3Z)-3-ethylidene-2-methylthiolane

(3Z)-3-ethylidene-2-methylthiolane (PubChem CID 88988819) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2-methylthiolane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2-methylthiolane
PubChem CID88988819
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(3Z)-3-ethylidene-2-methylthiolane
SMILESC/C=C1/CCSC1C
InChIInChI=1S/C7H12S/c1-3-7-4-5-8-6(7)2/h3,6H,4-5H2,1-2H3/b7-3-
InChIKeyTWLVRIQCFIMCQP-CLTKARDFSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-2-methylthiolane?
The IUPAC name of (3Z)-3-ethylidene-2-methylthiolane (CID 88988819) is (3Z)-3-ethylidene-2-methylthiolane.
What is the SMILES notation for (3Z)-3-ethylidene-2-methylthiolane?
The canonical SMILES for (3Z)-3-ethylidene-2-methylthiolane is C/C=C1/CCSC1C.
What is the InChIKey of (3Z)-3-ethylidene-2-methylthiolane?
The InChIKey is TWLVRIQCFIMCQP-CLTKARDFSA-N. The full InChI is InChI=1S/C7H12S/c1-3-7-4-5-8-6(7)2/h3,6H,4-5H2,1-2H3/b7-3-.
What are the key properties of (3Z)-3-ethylidene-2-methylthiolane?
(3Z)-3-ethylidene-2-methylthiolane has a molecular weight of 128.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2-methylthiolane is sourced from PubChem (CID 88988819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).