5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione

C9H11NS2 — CID 142927924

IUPAC5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
SMILESC=C1C=C2SCCC2C(=S)N1C
InChIInChI=1S/C9H11NS2/c1-6-5-8-7(3-4-12-8)9(11)10(6)2/h5,7H,1,3-4H2,2H3
InChIKeyXVZCKUDWNXZNQF-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.41
Rot. Bonds

About 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione

5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione (PubChem CID 142927924) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione.

Molecular Properties

Compound Name5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
PubChem CID142927924
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
SMILESC=C1C=C2SCCC2C(=S)N1C
InChIInChI=1S/C9H11NS2/c1-6-5-8-7(3-4-12-8)9(11)10(6)2/h5,7H,1,3-4H2,2H3
InChIKeyXVZCKUDWNXZNQF-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.41
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
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione
CID 87430225
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
6-Methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione
CID 143079802
5-Methyl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
CID 154549853
5-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 162471297
5-Propan-2-yl-6-sulfanyl-2,3,3a,6-tetrahydrothieno[3,2-c]pyridine-4-thione
CID 167184582

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
The IUPAC name of 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione (CID 142927924) is 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione.
What is the SMILES notation for 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
The canonical SMILES for 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione is C=C1C=C2SCCC2C(=S)N1C.
What is the InChIKey of 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
The InChIKey is XVZCKUDWNXZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-6-5-8-7(3-4-12-8)9(11)10(6)2/h5,7H,1,3-4H2,2H3.
What are the key properties of 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione?
5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione has a molecular weight of 197.33 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4-thione is sourced from PubChem (CID 142927924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).