3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane

C9H13NS3 — CID 142135778

IUPAC3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
SMILESCC.S=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C7H7NS3.C2H6/c9-6-3-5-4(1-2-11-5)7(10)8-6;1-2/h3-4H,1-2H2,(H,8,9,10);1-2H3
InChIKeyCCHSQFDERGEGPF-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.91
Rot. Bonds

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

3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane (PubChem CID 142135778) has the molecular formula C9H13NS3 and a molecular weight of 231.41 g/mol. Its IUPAC name is 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane.

Molecular Properties

Compound Name3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
PubChem CID142135778
Molecular FormulaC9H13NS3
Molecular Weight231.41 g/mol
Exact Mass231.02
IUPAC Name3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
SMILESCC.S=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C7H7NS3.C2H6/c9-6-3-5-4(1-2-11-5)7(10)8-6;1-2/h3-4H,1-2H2,(H,8,9,10);1-2H3
InChIKeyCCHSQFDERGEGPF-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
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
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87430206
6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
CID 87430225
5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135609
3,3a,4,5-tetrahydro-2H-thieno[3,2-c]pyridine-6-thione
CID 142135788
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
CID 142135921
(2E)-N-tert-butyl-2-(3-methanethioylthiolan-2-ylidene)ethanethioamide
CID 142211927
2,3,3a,7-Tetrahydrothieno[3,2-c]azepine-4,6-dithione
CID 143079830
(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 143080094

Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane?
The IUPAC name of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane (CID 142135778) is 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane.
What is the SMILES notation for 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane?
The canonical SMILES for 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane is CC.S=C1C=C2SCCC2C(=S)N1.
What is the InChIKey of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane?
The InChIKey is CCHSQFDERGEGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS3.C2H6/c9-6-3-5-4(1-2-11-5)7(10)8-6;1-2/h3-4H,1-2H2,(H,8,9,10);1-2H3.
What are the key properties of 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane?
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane has a molecular weight of 231.41 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane is sourced from PubChem (CID 142135778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).