1,1-dioxo-1,4-thiazinane-3-thione

C4H7NO2S2 — CID 59512495

IUPAC1,1-dioxo-1,4-thiazinane-3-thione
SMILESO=S1(=O)CCNC(=S)C1
InChIInChI=1S/C4H7NO2S2/c6-9(7)2-1-5-4(8)3-9/h1-3H2,(H,5,8)
InChIKeyUEPOEISYXJWMBH-UHFFFAOYSA-N
MW165.24 g/mol
LogP-0.67
Rot. Bonds

About 1,1-dioxo-1,4-thiazinane-3-thione

1,1-dioxo-1,4-thiazinane-3-thione (PubChem CID 59512495) has the molecular formula C4H7NO2S2 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,1-dioxo-1,4-thiazinane-3-thione.

Molecular Properties

Compound Name1,1-dioxo-1,4-thiazinane-3-thione
PubChem CID59512495
Molecular FormulaC4H7NO2S2
Molecular Weight165.24 g/mol
Exact Mass164.99
IUPAC Name1,1-dioxo-1,4-thiazinane-3-thione
SMILESO=S1(=O)CCNC(=S)C1
InChIInChI=1S/C4H7NO2S2/c6-9(7)2-1-5-4(8)3-9/h1-3H2,(H,5,8)
InChIKeyUEPOEISYXJWMBH-UHFFFAOYSA-N
XLogP-0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,1-dioxo-1,4-thiazinane-3-thione?
The IUPAC name of 1,1-dioxo-1,4-thiazinane-3-thione (CID 59512495) is 1,1-dioxo-1,4-thiazinane-3-thione.
What is the SMILES notation for 1,1-dioxo-1,4-thiazinane-3-thione?
The canonical SMILES for 1,1-dioxo-1,4-thiazinane-3-thione is O=S1(=O)CCNC(=S)C1.
What is the InChIKey of 1,1-dioxo-1,4-thiazinane-3-thione?
The InChIKey is UEPOEISYXJWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S2/c6-9(7)2-1-5-4(8)3-9/h1-3H2,(H,5,8).
What are the key properties of 1,1-dioxo-1,4-thiazinane-3-thione?
1,1-dioxo-1,4-thiazinane-3-thione has a molecular weight of 165.24 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1,4-thiazinane-3-thione is sourced from PubChem (CID 59512495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).