3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran

C7H10OS — CID 135325566

IUPAC3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran
SMILESC1=C2SCCC2CCO1
InChIInChI=1S/C7H10OS/c1-3-8-5-7-6(1)2-4-9-7/h5-6H,1-4H2
InChIKeyRLODDZPMRUTACE-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.00
Rot. Bonds

About 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran

3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran (PubChem CID 135325566) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran
PubChem CID135325566
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran
SMILESC1=C2SCCC2CCO1
InChIInChI=1S/C7H10OS/c1-3-8-5-7-6(1)2-4-9-7/h5-6H,1-4H2
InChIKeyRLODDZPMRUTACE-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran 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 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran?
The IUPAC name of 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran (CID 135325566) is 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran.
What is the SMILES notation for 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran?
The canonical SMILES for 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran is C1=C2SCCC2CCO1.
What is the InChIKey of 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran?
The InChIKey is RLODDZPMRUTACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-3-8-5-7-6(1)2-4-9-7/h5-6H,1-4H2.
What are the key properties of 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran?
3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran has a molecular weight of 142.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-2H-thieno[2,3-c]pyran is sourced from PubChem (CID 135325566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).