magnesium;2-octyl-1,2-thiazol-3-one;dichloride

C11H19Cl2MgNOS — CID 172688386

IUPACmagnesium;2-octyl-1,2-thiazol-3-one;dichloride
SMILESCCCCCCCCn1sccc1=O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C11H19NOS.2ClH.Mg/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;;;/h8,10H,2-7,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyBINPDXHJKIJVFY-UHFFFAOYSA-L
MW308.56 g/mol
LogP-3.10
Rot. Bonds7

About magnesium;2-octyl-1,2-thiazol-3-one;dichloride

magnesium;2-octyl-1,2-thiazol-3-one;dichloride (PubChem CID 172688386) has the molecular formula C11H19Cl2MgNOS and a molecular weight of 308.56 g/mol. Its IUPAC name is magnesium;2-octyl-1,2-thiazol-3-one;dichloride.

Molecular Properties

Compound Namemagnesium;2-octyl-1,2-thiazol-3-one;dichloride
PubChem CID172688386
Molecular FormulaC11H19Cl2MgNOS
Molecular Weight308.56 g/mol
Exact Mass307.04
IUPAC Namemagnesium;2-octyl-1,2-thiazol-3-one;dichloride
SMILESCCCCCCCCn1sccc1=O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C11H19NOS.2ClH.Mg/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;;;/h8,10H,2-7,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyBINPDXHJKIJVFY-UHFFFAOYSA-L
XLogP-3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 5-3.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1,2-thiazol-3-one
CID 12944070
butyl octadecanoate;2-octyl-1,2-thiazol-3-one
CID 67824795
2-(13-aminotridecyl)-1,2-thiazol-3-one
CID 57064737
2-benzyl-1,2-thiazol-3-one;2-cyclohexyl-1,2-thiazol-3-one;2-dodecyl-1,2-thiazol-3-one
CID 161323355
2-(2-methylheptan-2-yl)-1,2-thiazol-3-one
CID 13036778
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
1-hexadecylpyrrole-2,5-dione
CID 4526314
11-octyl-3,7,15,19-tetrathia-11-azapentacyclo[11.6.0.02,9.04,8.014,18]nonadeca-1(13),2(9),4(8),5,14(18),16-hexaene-10,12-dione
CID 130404464
magnesium;undecane;dichloride
CID 175829094
4-methyl-1-octylpyridin-2-one
CID 116622543
1-octyl-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 132937304
4-octylthieno[3,2-b]pyrrole-5,6-dione
CID 102441986

Frequently Asked Questions

What is the IUPAC name of magnesium;2-octyl-1,2-thiazol-3-one;dichloride?
The IUPAC name of magnesium;2-octyl-1,2-thiazol-3-one;dichloride (CID 172688386) is magnesium;2-octyl-1,2-thiazol-3-one;dichloride.
What is the SMILES notation for magnesium;2-octyl-1,2-thiazol-3-one;dichloride?
The canonical SMILES for magnesium;2-octyl-1,2-thiazol-3-one;dichloride is CCCCCCCCn1sccc1=O.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-octyl-1,2-thiazol-3-one;dichloride?
The InChIKey is BINPDXHJKIJVFY-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H19NOS.2ClH.Mg/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;;;/h8,10H,2-7,9H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;2-octyl-1,2-thiazol-3-one;dichloride?
magnesium;2-octyl-1,2-thiazol-3-one;dichloride has a molecular weight of 308.56 g/mol, XLogP of -3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-octyl-1,2-thiazol-3-one;dichloride is sourced from PubChem (CID 172688386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).