1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone

C12H12Cl2N2OS — CID 56693082

IUPAC1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCC(=O)N1CCCS/C1=N\c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2OS/c1-8(17)16-6-3-7-18-12(16)15-11-9(13)4-2-5-10(11)14/h2,4-5H,3,6-7H2,1H3/b15-12-
InChIKeyANZCKIJTCQOTCM-QINSGFPZSA-N
MW303.21 g/mol
LogP3.97
Rot. Bonds1

About 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone

1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone (PubChem CID 56693082) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
PubChem CID56693082
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
SMILESCC(=O)N1CCCS/C1=N\c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2OS/c1-8(17)16-6-3-7-18-12(16)15-11-9(13)4-2-5-10(11)14/h2,4-5H,3,6-7H2,1H3/b15-12-
InChIKeyANZCKIJTCQOTCM-QINSGFPZSA-N
XLogP3.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone (CID 56693082) is 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone is CC(=O)N1CCCS/C1=N\c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone?
The InChIKey is ANZCKIJTCQOTCM-QINSGFPZSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-8(17)16-6-3-7-18-12(16)15-11-9(13)4-2-5-10(11)14/h2,4-5H,3,6-7H2,1H3/b15-12-.
What are the key properties of 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone?
1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone has a molecular weight of 303.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone is sourced from PubChem (CID 56693082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).