4-(thian-4-ylidene)thiane

C10H16S2 — CID 10559971

IUPAC4-(thian-4-ylidene)thiane
SMILESC1CC(=C2CCSCC2)CCS1
InChIInChI=1S/C10H16S2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H2
InChIKeyPNNWRMOXSDNQBN-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.34
Rot. Bonds

About 4-(thian-4-ylidene)thiane

4-(thian-4-ylidene)thiane (PubChem CID 10559971) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 4-(thian-4-ylidene)thiane.

Molecular Properties

Compound Name4-(thian-4-ylidene)thiane
PubChem CID10559971
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name4-(thian-4-ylidene)thiane
SMILESC1CC(=C2CCSCC2)CCS1
InChIInChI=1S/C10H16S2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H2
InChIKeyPNNWRMOXSDNQBN-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(thian-4-ylidene)thiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(thian-4-ylidene)thiane?
The IUPAC name of 4-(thian-4-ylidene)thiane (CID 10559971) is 4-(thian-4-ylidene)thiane.
What is the SMILES notation for 4-(thian-4-ylidene)thiane?
The canonical SMILES for 4-(thian-4-ylidene)thiane is C1CC(=C2CCSCC2)CCS1.
What is the InChIKey of 4-(thian-4-ylidene)thiane?
The InChIKey is PNNWRMOXSDNQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H2.
What are the key properties of 4-(thian-4-ylidene)thiane?
4-(thian-4-ylidene)thiane has a molecular weight of 200.37 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-4-ylidene)thiane is sourced from PubChem (CID 10559971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).