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

C10H13NS3 — CID 142135833

IUPAC5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCCCN1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C10H13NS3/c1-2-4-11-9(12)6-8-7(10(11)13)3-5-14-8/h6-7H,2-5H2,1H3
InChIKeyHMIWZPHJRPQBPR-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.00
Rot. Bonds2

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

5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 142135833) has the molecular formula C10H13NS3 and a molecular weight of 243.42 g/mol. Its IUPAC name is 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID142135833
Molecular FormulaC10H13NS3
Molecular Weight243.42 g/mol
Exact Mass243.02
IUPAC Name5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESCCCN1C(=S)C=C2SCCC2C1=S
InChIInChI=1S/C10H13NS3/c1-2-4-11-9(12)6-8-7(10(11)13)3-5-14-8/h6-7H,2-5H2,1H3
InChIKeyHMIWZPHJRPQBPR-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.00
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
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
ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 143080069

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 142135833) is 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is CCCN1C(=S)C=C2SCCC2C1=S.
What is the InChIKey of 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is HMIWZPHJRPQBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS3/c1-2-4-11-9(12)6-8-7(10(11)13)3-5-14-8/h6-7H,2-5H2,1H3.
What are the key properties of 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 243.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 142135833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).