7H-thieno[2,3-b]pyridine-4-thione

C7H5NS2 — CID 68711930

IUPAC7H-thieno[2,3-b]pyridine-4-thione
SMILESS=c1cc[nH]c2sccc12
InChIInChI=1S/C7H5NS2/c9-6-1-3-8-7-5(6)2-4-10-7/h1-4H,(H,8,9)
InChIKeyMTPBUHGHMYVDQG-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.96
Rot. Bonds

About 7H-thieno[2,3-b]pyridine-4-thione

7H-thieno[2,3-b]pyridine-4-thione (PubChem CID 68711930) has the molecular formula C7H5NS2 and a molecular weight of 167.26 g/mol. Its IUPAC name is 7H-thieno[2,3-b]pyridine-4-thione.

Molecular Properties

Compound Name7H-thieno[2,3-b]pyridine-4-thione
PubChem CID68711930
Molecular FormulaC7H5NS2
Molecular Weight167.26 g/mol
Exact Mass166.99
IUPAC Name7H-thieno[2,3-b]pyridine-4-thione
SMILESS=c1cc[nH]c2sccc12
InChIInChI=1S/C7H5NS2/c9-6-1-3-8-7-5(6)2-4-10-7/h1-4H,(H,8,9)
InChIKeyMTPBUHGHMYVDQG-UHFFFAOYSA-N
XLogP2.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-Dihydrothieno[2,3-b]pyridine
CID 18672008
4,5,6,7-Tetrahydrothieno[2,3-b]pyridine
CID 20712120
4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide
CID 22343014
5,6-dihydro-4H-thieno[2,3-b]pyrrole
CID 23543629
5H-thieno[3,2-c]pyridine-4-thione
CID 57450176
4,5,6,7-Tetrahydrothieno[3,2-e]pyridine hydrochloride
CID 73012682
4,7-Dihydrothieno[2,3-b]pyridine-5-carbothioamide
CID 88020333
7-Propyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide
CID 142218374
N-(3-propan-2-ylthiophen-2-yl)methanethioamide
CID 164076904
N'-(3-ethylthiophen-2-yl)-N-propylethane-1,2-diamine
CID 175047866
3-[(E)-but-2-enyl]-N-methylthiophen-2-amine
CID 143892147
5,8-dihydro-4H-thieno[2,3-b]azepine
CID 161012356

Frequently Asked Questions

What is the IUPAC name of 7H-thieno[2,3-b]pyridine-4-thione?
The IUPAC name of 7H-thieno[2,3-b]pyridine-4-thione (CID 68711930) is 7H-thieno[2,3-b]pyridine-4-thione.
What is the SMILES notation for 7H-thieno[2,3-b]pyridine-4-thione?
The canonical SMILES for 7H-thieno[2,3-b]pyridine-4-thione is S=c1cc[nH]c2sccc12.
What is the InChIKey of 7H-thieno[2,3-b]pyridine-4-thione?
The InChIKey is MTPBUHGHMYVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS2/c9-6-1-3-8-7-5(6)2-4-10-7/h1-4H,(H,8,9).
What are the key properties of 7H-thieno[2,3-b]pyridine-4-thione?
7H-thieno[2,3-b]pyridine-4-thione has a molecular weight of 167.26 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-thieno[2,3-b]pyridine-4-thione is sourced from PubChem (CID 68711930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).