2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one

C8H12N2OS2 — CID 13101708

IUPAC2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one
SMILESCCN1C(=O)C2CCSCN2C1=S
InChIInChI=1S/C8H12N2OS2/c1-2-9-7(11)6-3-4-13-5-10(6)8(9)12/h6H,2-5H2,1H3
InChIKeySQPQMORDTDDSPS-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.90
Rot. Bonds1

About 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one

2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one (PubChem CID 13101708) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one.

Molecular Properties

Compound Name2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one
PubChem CID13101708
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one
SMILESCCN1C(=O)C2CCSCN2C1=S
InChIInChI=1S/C8H12N2OS2/c1-2-9-7(11)6-3-4-13-5-10(6)8(9)12/h6H,2-5H2,1H3
InChIKeySQPQMORDTDDSPS-UHFFFAOYSA-N
XLogP0.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one?
The IUPAC name of 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one (CID 13101708) is 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one.
What is the SMILES notation for 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one?
The canonical SMILES for 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one is CCN1C(=O)C2CCSCN2C1=S.
What is the InChIKey of 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one?
The InChIKey is SQPQMORDTDDSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-2-9-7(11)6-3-4-13-5-10(6)8(9)12/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one?
2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one has a molecular weight of 216.33 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-sulfanylidene-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazin-1-one is sourced from PubChem (CID 13101708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).