(4Z)-4-ethylidene-2-methylthiane

C8H14S — CID 88988811

IUPAC(4Z)-4-ethylidene-2-methylthiane
SMILESC/C=C1/CCSC(C)C1
InChIInChI=1S/C8H14S/c1-3-8-4-5-9-7(2)6-8/h3,7H,4-6H2,1-2H3/b8-3-
InChIKeyGFLUSFSQGAQWBI-BAQGIRSFSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds

About (4Z)-4-ethylidene-2-methylthiane

(4Z)-4-ethylidene-2-methylthiane (PubChem CID 88988811) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (4Z)-4-ethylidene-2-methylthiane.

Molecular Properties

Compound Name(4Z)-4-ethylidene-2-methylthiane
PubChem CID88988811
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(4Z)-4-ethylidene-2-methylthiane
SMILESC/C=C1/CCSC(C)C1
InChIInChI=1S/C8H14S/c1-3-8-4-5-9-7(2)6-8/h3,7H,4-6H2,1-2H3/b8-3-
InChIKeyGFLUSFSQGAQWBI-BAQGIRSFSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
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 (4Z)-4-ethylidene-2-methylthiane?
The IUPAC name of (4Z)-4-ethylidene-2-methylthiane (CID 88988811) is (4Z)-4-ethylidene-2-methylthiane.
What is the SMILES notation for (4Z)-4-ethylidene-2-methylthiane?
The canonical SMILES for (4Z)-4-ethylidene-2-methylthiane is C/C=C1/CCSC(C)C1.
What is the InChIKey of (4Z)-4-ethylidene-2-methylthiane?
The InChIKey is GFLUSFSQGAQWBI-BAQGIRSFSA-N. The full InChI is InChI=1S/C8H14S/c1-3-8-4-5-9-7(2)6-8/h3,7H,4-6H2,1-2H3/b8-3-.
What are the key properties of (4Z)-4-ethylidene-2-methylthiane?
(4Z)-4-ethylidene-2-methylthiane has a molecular weight of 142.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-2-methylthiane is sourced from PubChem (CID 88988811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).