5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione

C8H11NS2 — CID 162471297

IUPAC5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
SMILESCN1CC2CCSC2=CC1=S
InChIInChI=1S/C8H11NS2/c1-9-5-6-2-3-11-7(6)4-8(9)10/h4,6H,2-3,5H2,1H3
InChIKeyAZJMRRRMEBIELB-UHFFFAOYSA-N
MW185.32 g/mol
LogP1.90
Rot. Bonds

About 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione

5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione (PubChem CID 162471297) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione.

Molecular Properties

Compound Name5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
PubChem CID162471297
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
SMILESCN1CC2CCSC2=CC1=S
InChIInChI=1S/C8H11NS2/c1-9-5-6-2-3-11-7(6)4-8(9)10/h4,6H,2-3,5H2,1H3
InChIKeyAZJMRRRMEBIELB-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione?
The IUPAC name of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione (CID 162471297) is 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione.
What is the SMILES notation for 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione?
The canonical SMILES for 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione is CN1CC2CCSC2=CC1=S.
What is the InChIKey of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione?
The InChIKey is AZJMRRRMEBIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-9-5-6-2-3-11-7(6)4-8(9)10/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione?
5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione has a molecular weight of 185.32 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione is sourced from PubChem (CID 162471297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).