(2-sulfanylidene-1,3-thiazinan-3-yl) acetate

C6H9NO2S2 — CID 122591661

IUPAC(2-sulfanylidene-1,3-thiazinan-3-yl) acetate
SMILESCC(=O)ON1CCCSC1=S
InChIInChI=1S/C6H9NO2S2/c1-5(8)9-7-3-2-4-11-6(7)10/h2-4H2,1H3
InChIKeyZPHFTKVEGKNQDB-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.19
Rot. Bonds1

About (2-sulfanylidene-1,3-thiazinan-3-yl) acetate

(2-sulfanylidene-1,3-thiazinan-3-yl) acetate (PubChem CID 122591661) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2-sulfanylidene-1,3-thiazinan-3-yl) acetate.

Molecular Properties

Compound Name(2-sulfanylidene-1,3-thiazinan-3-yl) acetate
PubChem CID122591661
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name(2-sulfanylidene-1,3-thiazinan-3-yl) acetate
SMILESCC(=O)ON1CCCSC1=S
InChIInChI=1S/C6H9NO2S2/c1-5(8)9-7-3-2-4-11-6(7)10/h2-4H2,1H3
InChIKeyZPHFTKVEGKNQDB-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Oxo-1,3-thiazinan-3-yl) acetate
CID 122591663
(3R)-2-methyl-3-propan-2-yl-1,4,2-oxathiazinan-6-one
CID 125490477
(3S)-2-methyl-3-propan-2-yl-1,4,2-oxathiazinan-6-one
CID 125490481

Frequently Asked Questions

What is the IUPAC name of (2-sulfanylidene-1,3-thiazinan-3-yl) acetate?
The IUPAC name of (2-sulfanylidene-1,3-thiazinan-3-yl) acetate (CID 122591661) is (2-sulfanylidene-1,3-thiazinan-3-yl) acetate.
What is the SMILES notation for (2-sulfanylidene-1,3-thiazinan-3-yl) acetate?
The canonical SMILES for (2-sulfanylidene-1,3-thiazinan-3-yl) acetate is CC(=O)ON1CCCSC1=S.
What is the InChIKey of (2-sulfanylidene-1,3-thiazinan-3-yl) acetate?
The InChIKey is ZPHFTKVEGKNQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-5(8)9-7-3-2-4-11-6(7)10/h2-4H2,1H3.
What are the key properties of (2-sulfanylidene-1,3-thiazinan-3-yl) acetate?
(2-sulfanylidene-1,3-thiazinan-3-yl) acetate has a molecular weight of 191.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylidene-1,3-thiazinan-3-yl) acetate is sourced from PubChem (CID 122591661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).