magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide

C12H19BrMgS — CID 135077309

IUPACmagnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide
SMILESCCCCc1[c-]scc1CCCC.[Br-].[Mg+2]
InChIInChI=1S/C12H19S.BrH.Mg/c1-3-5-7-11-9-13-10-12(11)8-6-4-2;;/h9H,3-8H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyHCKUECAISCQVMV-UHFFFAOYSA-M
MW299.56 g/mol
LogP0.86
Rot. Bonds6

About magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide

magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide (PubChem CID 135077309) has the molecular formula C12H19BrMgS and a molecular weight of 299.56 g/mol. Its IUPAC name is magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide
PubChem CID135077309
Molecular FormulaC12H19BrMgS
Molecular Weight299.56 g/mol
Exact Mass298.02
IUPAC Namemagnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide
SMILESCCCCc1[c-]scc1CCCC.[Br-].[Mg+2]
InChIInChI=1S/C12H19S.BrH.Mg/c1-3-5-7-11-9-13-10-12(11)8-6-4-2;;/h9H,3-8H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyHCKUECAISCQVMV-UHFFFAOYSA-M
XLogP0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 100956910
Magnesium bromide 3-hexylthiophen-2-ide (1/1/1)
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4-Hexyl-2-thienyllithium
CID 85970345
1-Ethenylidene-3-hexylthiophene
CID 91359807
(Z)-2-methyl-1-methylsulfanyldec-1-ene
CID 132505443
(Z)-1-deuterio-2-methyl-1-methylsulfanyloct-1-ene
CID 134851777
magnesium;3-decyl-2H-thiophen-2-ide;bromide
CID 134947511
(3-Octylthiophen-2-yl)magnesium bromide
CID 59482905
magnesium;3-dodecyl-2H-thiophen-2-ide;bromide
CID 87523427
magnesium;4-hexyl-2H-thiophen-2-ide;bromide;hydrochloride
CID 89350736
3,4-dibutyl-3H-dithiole
CID 118539178
5-(Ethenylsulfanylmethylidene)nonane
CID 139298116

Frequently Asked Questions

What is the IUPAC name of magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide?
The IUPAC name of magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide (CID 135077309) is magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide.
What is the SMILES notation for magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide?
The canonical SMILES for magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide is CCCCc1[c-]scc1CCCC.[Br-].[Mg+2].
What is the InChIKey of magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide?
The InChIKey is HCKUECAISCQVMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19S.BrH.Mg/c1-3-5-7-11-9-13-10-12(11)8-6-4-2;;/h9H,3-8H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide?
magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide has a molecular weight of 299.56 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide is sourced from PubChem (CID 135077309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).