magnesium;3-octyl-2H-thiophen-2-ide;bromide

C12H19BrMgS — CID 59482905

IUPACmagnesium;3-octyl-2H-thiophen-2-ide;bromide
SMILESCCCCCCCCc1[c-]scc1.[Br-].[Mg+2]
InChIInChI=1S/C12H19S.BrH.Mg/c1-2-3-4-5-6-7-8-12-9-10-13-11-12;;/h9-10H,2-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHBDAVIVBEMDHQC-UHFFFAOYSA-M
MW299.56 g/mol
LogP1.07
Rot. Bonds7

About magnesium;3-octyl-2H-thiophen-2-ide;bromide

magnesium;3-octyl-2H-thiophen-2-ide;bromide (PubChem CID 59482905) has the molecular formula C12H19BrMgS and a molecular weight of 299.56 g/mol. Its IUPAC name is magnesium;3-octyl-2H-thiophen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;3-octyl-2H-thiophen-2-ide;bromide
PubChem CID59482905
Molecular FormulaC12H19BrMgS
Molecular Weight299.56 g/mol
Exact Mass298.02
IUPAC Namemagnesium;3-octyl-2H-thiophen-2-ide;bromide
SMILESCCCCCCCCc1[c-]scc1.[Br-].[Mg+2]
InChIInChI=1S/C12H19S.BrH.Mg/c1-2-3-4-5-6-7-8-12-9-10-13-11-12;;/h9-10H,2-8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyHBDAVIVBEMDHQC-UHFFFAOYSA-M
XLogP1.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Dodecyl-1-ethenylidenethiophene
CID 123893367
Magnesium bromide 3-hexylthiophen-2-ide (1/1/1)
CID 71358086
1-Ethenylidene-3-hexylthiophene
CID 91359807
magnesium;3-decyl-2H-thiophen-2-ide;bromide
CID 134947511
magnesium;3,4-dibutyl-2H-thiophen-2-ide;bromide
CID 135077309
chlorozinc(1+);3-octyl-2H-thiophen-2-ide
CID 58807315
magnesium;3-dodecyl-2H-thiophen-2-ide;bromide
CID 87523427
magnesium;4-hexyl-2H-thiophen-2-ide;bromide;hydrochloride
CID 89350736
1-Bromo-3-methyl-1-octylthiophene
CID 140091510
lithium 3-hexyl-2H-thiophen-2-ide
CID 140277270
1,1-Dibromo-3-octylthiophene
CID 141270735
(Z)-1-ethylsulfanyl-3-methylidenenon-1-ene
CID 143882645

Frequently Asked Questions

What is the IUPAC name of magnesium;3-octyl-2H-thiophen-2-ide;bromide?
The IUPAC name of magnesium;3-octyl-2H-thiophen-2-ide;bromide (CID 59482905) is magnesium;3-octyl-2H-thiophen-2-ide;bromide.
What is the SMILES notation for magnesium;3-octyl-2H-thiophen-2-ide;bromide?
The canonical SMILES for magnesium;3-octyl-2H-thiophen-2-ide;bromide is CCCCCCCCc1[c-]scc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-octyl-2H-thiophen-2-ide;bromide?
The InChIKey is HBDAVIVBEMDHQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19S.BrH.Mg/c1-2-3-4-5-6-7-8-12-9-10-13-11-12;;/h9-10H,2-8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-octyl-2H-thiophen-2-ide;bromide?
magnesium;3-octyl-2H-thiophen-2-ide;bromide has a molecular weight of 299.56 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-octyl-2H-thiophen-2-ide;bromide is sourced from PubChem (CID 59482905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).