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

C7H7NS3 — CID 143080094

IUPAC(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCC[C@H]2C(=S)N1
InChIInChI=1S/C7H7NS3/c9-6-3-5-4(1-2-11-5)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)/t4-/m1/s1
InChIKeyYDJQUKOREQIYGD-SCSAIBSYSA-N
MW201.34 g/mol
LogP1.88
Rot. Bonds

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

(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 143080094) has the molecular formula C7H7NS3 and a molecular weight of 201.34 g/mol. Its IUPAC name is (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID143080094
Molecular FormulaC7H7NS3
Molecular Weight201.34 g/mol
Exact Mass200.97
IUPAC Name(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCC[C@H]2C(=S)N1
InChIInChI=1S/C7H7NS3/c9-6-3-5-4(1-2-11-5)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)/t4-/m1/s1
InChIKeyYDJQUKOREQIYGD-SCSAIBSYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.88
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
5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 129095718
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
3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione;ethane
CID 142135921
2,3,3a,7-Tetrahydrothieno[3,2-c]azepine-4,6-dithione
CID 143079830
5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 155596285
3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium
CID 164595003
5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 165116439

Frequently Asked Questions

What is the IUPAC name of (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 143080094) is (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCC[C@H]2C(=S)N1.
What is the InChIKey of (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is YDJQUKOREQIYGD-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7NS3/c9-6-3-5-4(1-2-11-5)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)/t4-/m1/s1.
What are the key properties of (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 201.34 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 143080094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).