6-ethyl-3H-thieno[2,3-b][1,4]thiazine

C8H9NS2 — CID 91109335

IUPAC6-ethyl-3H-thieno[2,3-b][1,4]thiazine
SMILESCCc1cc2c(s1)SCC=N2
InChIInChI=1S/C8H9NS2/c1-2-6-5-7-8(11-6)10-4-3-9-7/h3,5H,2,4H2,1H3
InChIKeyZRVNXIBPXJISQM-UHFFFAOYSA-N
MW183.30 g/mol
LogP3.12
Rot. Bonds1

About 6-ethyl-3H-thieno[2,3-b][1,4]thiazine

6-ethyl-3H-thieno[2,3-b][1,4]thiazine (PubChem CID 91109335) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-ethyl-3H-thieno[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name6-ethyl-3H-thieno[2,3-b][1,4]thiazine
PubChem CID91109335
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name6-ethyl-3H-thieno[2,3-b][1,4]thiazine
SMILESCCc1cc2c(s1)SCC=N2
InChIInChI=1S/C8H9NS2/c1-2-6-5-7-8(11-6)10-4-3-9-7/h3,5H,2,4H2,1H3
InChIKeyZRVNXIBPXJISQM-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3H-thieno[2,3-b][1,4]thiazine?
The IUPAC name of 6-ethyl-3H-thieno[2,3-b][1,4]thiazine (CID 91109335) is 6-ethyl-3H-thieno[2,3-b][1,4]thiazine.
What is the SMILES notation for 6-ethyl-3H-thieno[2,3-b][1,4]thiazine?
The canonical SMILES for 6-ethyl-3H-thieno[2,3-b][1,4]thiazine is CCc1cc2c(s1)SCC=N2.
What is the InChIKey of 6-ethyl-3H-thieno[2,3-b][1,4]thiazine?
The InChIKey is ZRVNXIBPXJISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c1-2-6-5-7-8(11-6)10-4-3-9-7/h3,5H,2,4H2,1H3.
What are the key properties of 6-ethyl-3H-thieno[2,3-b][1,4]thiazine?
6-ethyl-3H-thieno[2,3-b][1,4]thiazine has a molecular weight of 183.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3H-thieno[2,3-b][1,4]thiazine is sourced from PubChem (CID 91109335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).