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

C5H3ClN2S3 — CID 57147591

IUPAC6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione
SMILESS=C1NSc2sc(Cl)cc2N1
InChIInChI=1S/C5H3ClN2S3/c6-3-1-2-4(10-3)11-8-5(9)7-2/h1H,(H2,7,8,9)
InChIKeyWSMNVJIIDZPFDM-UHFFFAOYSA-N
MW222.75 g/mol
LogP2.71
Rot. Bonds

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

6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione (PubChem CID 57147591) has the molecular formula C5H3ClN2S3 and a molecular weight of 222.75 g/mol. Its IUPAC name is 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione.

Molecular Properties

Compound Name6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione
PubChem CID57147591
Molecular FormulaC5H3ClN2S3
Molecular Weight222.75 g/mol
Exact Mass221.91
IUPAC Name6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione
SMILESS=C1NSc2sc(Cl)cc2N1
InChIInChI=1S/C5H3ClN2S3/c6-3-1-2-4(10-3)11-8-5(9)7-2/h1H,(H2,7,8,9)
InChIKeyWSMNVJIIDZPFDM-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
The IUPAC name of 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione (CID 57147591) is 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione.
What is the SMILES notation for 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
The canonical SMILES for 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione is S=C1NSc2sc(Cl)cc2N1.
What is the InChIKey of 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
The InChIKey is WSMNVJIIDZPFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2S3/c6-3-1-2-4(10-3)11-8-5(9)7-2/h1H,(H2,7,8,9).
What are the key properties of 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione?
6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione has a molecular weight of 222.75 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4H-thieno[3,2-e][1,2,4]thiadiazine-3-thione is sourced from PubChem (CID 57147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).