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

C11H15NS3 — CID 142135609

IUPAC5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCC(C)(C)N1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C11H15NS3/c1-11(2,3)12-9(13)6-8-7(10(12)14)4-5-15-8/h6-7H,4-5H2,1-3H3
InChIKeyAZEMQRSHQMPVGR-UHFFFAOYSA-N
MW257.45 g/mol
LogP3.39
Rot. Bonds

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

5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 142135609) has the molecular formula C11H15NS3 and a molecular weight of 257.45 g/mol. Its IUPAC name is 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID142135609
Molecular FormulaC11H15NS3
Molecular Weight257.45 g/mol
Exact Mass257.04
IUPAC Name5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCC(C)(C)N1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C11H15NS3/c1-11(2,3)12-9(13)6-8-7(10(12)14)4-5-15-8/h6-7H,4-5H2,1-3H3
InChIKeyAZEMQRSHQMPVGR-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-[4-[3-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylpropylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 10233208
5-[4-[2-[3-[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl]-3-methylbutyl]sulfanylethylsulfanyl]-2-methylbutan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 20633433
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-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 129095718
5-Tert-butyl-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 142135477
5-[2-methyl-4-[2-[3-methyl-3-[3-(2-sulfanylethyl)-2,6-bis(sulfanylidene)-3H-pyridin-1-yl]butyl]sulfanylethylsulfanyl]butan-2-yl]-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135484
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
CID 142135778
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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 142135609) is 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CC(C)(C)N1C(=S)C=C2SCCC2C1=S.
What is the InChIKey of 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is AZEMQRSHQMPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS3/c1-11(2,3)12-9(13)6-8-7(10(12)14)4-5-15-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 257.45 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 142135609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).