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

C11H19NS3 — CID 142135921

IUPAC3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
SMILESCC.CC.S=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C7H7NS3.2C2H6/c9-6-3-5-4(1-2-11-5)7(10)8-6;2*1-2/h3-4H,1-2H2,(H,8,9,10);2*1-2H3
InChIKeyHGBYYHCWCVRKLA-UHFFFAOYSA-N
MW261.48 g/mol
LogP3.93
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 142135921) has the molecular formula C11H19NS3 and a molecular weight of 261.48 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 CID142135921
Molecular FormulaC11H19NS3
Molecular Weight261.48 g/mol
Exact Mass261.07
IUPAC Name3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
SMILESCC.CC.S=C1C=C2SCCC2C(=S)N1
InChIInChI=1S/C7H7NS3.2C2H6/c9-6-3-5-4(1-2-11-5)7(10)8-6;2*1-2/h3-4H,1-2H2,(H,8,9,10);2*1-2H3
InChIKeyHGBYYHCWCVRKLA-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 53.93
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

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
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
CID 142135778
3,3a,4,5-tetrahydro-2H-thieno[3,2-c]pyridine-6-thione
CID 142135788
(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
5-(2-methylbutan-2-yl)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 146915300

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 142135921) 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.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 HGBYYHCWCVRKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS3.2C2H6/c9-6-3-5-4(1-2-11-5)7(10)8-6;2*1-2/h3-4H,1-2H2,(H,8,9,10);2*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 261.48 g/mol, XLogP of 3.93, 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 142135921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).