6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione

C12H13NOS2 — CID 162201932

IUPAC6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione
SMILESCOCC1(c2cnc3c(c2)SC(=S)C3)CC1
InChIInChI=1S/C12H13NOS2/c1-14-7-12(2-3-12)8-4-10-9(13-6-8)5-11(15)16-10/h4,6H,2-3,5,7H2,1H3
InChIKeyZRRWFVHUEIPJOU-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.74
Rot. Bonds3

About 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione

6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione (PubChem CID 162201932) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione.

Molecular Properties

Compound Name6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione
PubChem CID162201932
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione
SMILESCOCC1(c2cnc3c(c2)SC(=S)C3)CC1
InChIInChI=1S/C12H13NOS2/c1-14-7-12(2-3-12)8-4-10-9(13-6-8)5-11(15)16-10/h4,6H,2-3,5,7H2,1H3
InChIKeyZRRWFVHUEIPJOU-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione?
The IUPAC name of 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione (CID 162201932) is 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione.
What is the SMILES notation for 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione?
The canonical SMILES for 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione is COCC1(c2cnc3c(c2)SC(=S)C3)CC1.
What is the InChIKey of 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione?
The InChIKey is ZRRWFVHUEIPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-14-7-12(2-3-12)8-4-10-9(13-6-8)5-11(15)16-10/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione?
6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione has a molecular weight of 251.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(methoxymethyl)cyclopropyl]-3H-thieno[3,2-b]pyridine-2-thione is sourced from PubChem (CID 162201932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).