thiopyran-2-thione

C5H4S2 — CID 12617527

IUPACthiopyran-2-thione
SMILESS=c1ccccs1
InChIInChI=1S/C5H4S2/c6-5-3-1-2-4-7-5/h1-4H
InChIKeySCNVVRCKGKQWGI-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.48
Rot. Bonds

About thiopyran-2-thione

thiopyran-2-thione (PubChem CID 12617527) has the molecular formula C5H4S2 and a molecular weight of 128.22 g/mol. Its IUPAC name is thiopyran-2-thione.

Molecular Properties

Compound Namethiopyran-2-thione
PubChem CID12617527
Molecular FormulaC5H4S2
Molecular Weight128.22 g/mol
Exact Mass127.98
IUPAC Namethiopyran-2-thione
SMILESS=c1ccccs1
InChIInChI=1S/C5H4S2/c6-5-3-1-2-4-7-5/h1-4H
InChIKeySCNVVRCKGKQWGI-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 thiopyran-2-thione?
The IUPAC name of thiopyran-2-thione (CID 12617527) is thiopyran-2-thione.
What is the SMILES notation for thiopyran-2-thione?
The canonical SMILES for thiopyran-2-thione is S=c1ccccs1.
What is the InChIKey of thiopyran-2-thione?
The InChIKey is SCNVVRCKGKQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4S2/c6-5-3-1-2-4-7-5/h1-4H.
What are the key properties of thiopyran-2-thione?
thiopyran-2-thione has a molecular weight of 128.22 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiopyran-2-thione is sourced from PubChem (CID 12617527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).