(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C9H11NS3 — CID 170193873

IUPAC(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCCN1C(=S)C=C2SCC[C@H]2C1=S
InChIInChI=1S/C9H11NS3/c1-2-10-8(11)5-7-6(9(10)12)3-4-13-7/h5-6H,2-4H2,1H3/t6-/m1/s1
InChIKeyGTXQJTAVLSSEPG-ZCFIWIBFSA-N
MW229.39 g/mol
LogP2.61
Rot. Bonds1

About (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 170193873) has the molecular formula C9H11NS3 and a molecular weight of 229.39 g/mol. Its IUPAC name is (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID170193873
Molecular FormulaC9H11NS3
Molecular Weight229.39 g/mol
Exact Mass229.01
IUPAC Name(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCCN1C(=S)C=C2SCC[C@H]2C1=S
InChIInChI=1S/C9H11NS3/c1-2-10-8(11)5-7-6(9(10)12)3-4-13-7/h5-6H,2-4H2,1H3/t6-/m1/s1
InChIKeyGTXQJTAVLSSEPG-ZCFIWIBFSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.61
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
3-(2,3-Dihydrothiophen-5-yl)-1-methylpyrrolidine
CID 57227293
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
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
CID 142927924
4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
CID 142927970

Frequently Asked Questions

What is the IUPAC name of (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 170193873) is (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CCN1C(=S)C=C2SCC[C@H]2C1=S.
What is the InChIKey of (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is GTXQJTAVLSSEPG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NS3/c1-2-10-8(11)5-7-6(9(10)12)3-4-13-7/h5-6H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 229.39 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 170193873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).