(4Z)-9-thiabicyclo[6.1.0]non-4-ene

C8H12S — CID 5367487

IUPAC(4Z)-9-thiabicyclo[6.1.0]non-4-ene
SMILESC1=C\CCC2SC2CC/1
InChIInChI=1S/C8H12S/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-
InChIKeyFWVKDFMTBJUULG-UPHRSURJSA-N
MW140.25 g/mol
LogP2.60
Rot. Bonds

About (4Z)-9-thiabicyclo[6.1.0]non-4-ene

(4Z)-9-thiabicyclo[6.1.0]non-4-ene (PubChem CID 5367487) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is (4Z)-9-thiabicyclo[6.1.0]non-4-ene.

Molecular Properties

Compound Name(4Z)-9-thiabicyclo[6.1.0]non-4-ene
PubChem CID5367487
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name(4Z)-9-thiabicyclo[6.1.0]non-4-ene
SMILESC1=C\CCC2SC2CC/1
InChIInChI=1S/C8H12S/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-
InChIKeyFWVKDFMTBJUULG-UPHRSURJSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-9-thiabicyclo[6.1.0]non-4-ene?
The IUPAC name of (4Z)-9-thiabicyclo[6.1.0]non-4-ene (CID 5367487) is (4Z)-9-thiabicyclo[6.1.0]non-4-ene.
What is the SMILES notation for (4Z)-9-thiabicyclo[6.1.0]non-4-ene?
The canonical SMILES for (4Z)-9-thiabicyclo[6.1.0]non-4-ene is C1=C\CCC2SC2CC/1.
What is the InChIKey of (4Z)-9-thiabicyclo[6.1.0]non-4-ene?
The InChIKey is FWVKDFMTBJUULG-UPHRSURJSA-N. The full InChI is InChI=1S/C8H12S/c1-2-4-6-8-7(9-8)5-3-1/h1-2,7-8H,3-6H2/b2-1-.
What are the key properties of (4Z)-9-thiabicyclo[6.1.0]non-4-ene?
(4Z)-9-thiabicyclo[6.1.0]non-4-ene has a molecular weight of 140.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-9-thiabicyclo[6.1.0]non-4-ene is sourced from PubChem (CID 5367487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).