5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C11H13NS3 — CID 164594983

IUPAC5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1C1CCC1
InChIInChI=1S/C11H13NS3/c13-10-6-9-8(4-5-15-9)11(14)12(10)7-2-1-3-7/h6-8H,1-5H2
InChIKeyVZZAPVLJSDBUIX-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.15
Rot. Bonds1

About 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 164594983) has the molecular formula C11H13NS3 and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID164594983
Molecular FormulaC11H13NS3
Molecular Weight255.43 g/mol
Exact Mass255.02
IUPAC Name5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1C1CCC1
InChIInChI=1S/C11H13NS3/c13-10-6-9-8(4-5-15-9)11(14)12(10)7-2-1-3-7/h6-8H,1-5H2
InChIKeyVZZAPVLJSDBUIX-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 22085288
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
(2E)-N-ethyl-N-methyl-2-(2-sulfanylideneethylidene)thiolane-3-carbothioamide
CID 88873806
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 89313632
5-Tert-butyl-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 142135477
5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135609
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
5-Methyl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
CID 154549853
5-cyclopropyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 155596461
5-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 162471297
5-(2,2-Dimethylbutyl)-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 163910489

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 164594983) is 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCCC2C(=S)N1C1CCC1.
What is the InChIKey of 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is VZZAPVLJSDBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS3/c13-10-6-9-8(4-5-15-9)11(14)12(10)7-2-1-3-7/h6-8H,1-5H2.
What are the key properties of 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 255.43 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 164594983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).