6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one

C5H3ClN2O3S2 — CID 11096689

IUPAC6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one
SMILESO=C1Nc2cc(Cl)sc2S(=O)(=O)N1
InChIInChI=1S/C5H3ClN2O3S2/c6-3-1-2-4(12-3)13(10,11)8-5(9)7-2/h1H,(H2,7,8,9)
InChIKeyJCRDGHXIZFIGRZ-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.23
Rot. Bonds

About 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one

6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one (PubChem CID 11096689) has the molecular formula C5H3ClN2O3S2 and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one.

Molecular Properties

Compound Name6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one
PubChem CID11096689
Molecular FormulaC5H3ClN2O3S2
Molecular Weight238.68 g/mol
Exact Mass237.93
IUPAC Name6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one
SMILESO=C1Nc2cc(Cl)sc2S(=O)(=O)N1
InChIInChI=1S/C5H3ClN2O3S2/c6-3-1-2-4(12-3)13(10,11)8-5(9)7-2/h1H,(H2,7,8,9)
InChIKeyJCRDGHXIZFIGRZ-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]thiadiazin-3-one?
The IUPAC name of 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one (CID 11096689) is 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one.
What is the SMILES notation for 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one?
The canonical SMILES for 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one is O=C1Nc2cc(Cl)sc2S(=O)(=O)N1.
What is the InChIKey of 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one?
The InChIKey is JCRDGHXIZFIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O3S2/c6-3-1-2-4(12-3)13(10,11)8-5(9)7-2/h1H,(H2,7,8,9).
What are the key properties of 6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one?
6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-one has a molecular weight of 238.68 g/mol, XLogP of 1.23, 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]thiadiazin-3-one is sourced from PubChem (CID 11096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).