6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione

C5H3ClN2O2S3 — CID 54224819

IUPAC6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione
SMILESO=S1(=O)NC(=S)Nc2cc(Cl)sc21
InChIInChI=1S/C5H3ClN2O2S3/c6-3-1-2-4(12-3)13(9,10)8-5(11)7-2/h1H,(H2,7,8,11)
InChIKeyQFCNCWOGEYOSJV-UHFFFAOYSA-N
MW254.75 g/mol
LogP1.39
Rot. Bonds

About 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione

6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione (PubChem CID 54224819) has the molecular formula C5H3ClN2O2S3 and a molecular weight of 254.75 g/mol. Its IUPAC name is 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione.

Molecular Properties

Compound Name6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione
PubChem CID54224819
Molecular FormulaC5H3ClN2O2S3
Molecular Weight254.75 g/mol
Exact Mass253.90
IUPAC Name6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione
SMILESO=S1(=O)NC(=S)Nc2cc(Cl)sc21
InChIInChI=1S/C5H3ClN2O2S3/c6-3-1-2-4(12-3)13(9,10)8-5(11)7-2/h1H,(H2,7,8,11)
InChIKeyQFCNCWOGEYOSJV-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 51.39
H-Bond Donors ≤ 52
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-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
The IUPAC name of 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione (CID 54224819) is 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione.
What is the SMILES notation for 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
The canonical SMILES for 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione is O=S1(=O)NC(=S)Nc2cc(Cl)sc21.
What is the InChIKey of 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
The InChIKey is QFCNCWOGEYOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2S3/c6-3-1-2-4(12-3)13(9,10)8-5(11)7-2/h1H,(H2,7,8,11).
What are the key properties of 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione has a molecular weight of 254.75 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione is sourced from PubChem (CID 54224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).