magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride

C8H10BrClMgS — CID 87531251

IUPACmagnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride
SMILESCCCCc1c[c-]sc1Br.[Cl-].[Mg+2]
InChIInChI=1S/C8H10BrS.ClH.Mg/c1-2-3-4-7-5-6-10-8(7)9;;/h5H,2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQRMRLJDHNXXAEV-UHFFFAOYSA-M
MW277.90 g/mol
LogP0.28
Rot. Bonds3

About magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride

magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride (PubChem CID 87531251) has the molecular formula C8H10BrClMgS and a molecular weight of 277.90 g/mol. Its IUPAC name is magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride.

Molecular Properties

Compound Namemagnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride
PubChem CID87531251
Molecular FormulaC8H10BrClMgS
Molecular Weight277.90 g/mol
Exact Mass275.92
IUPAC Namemagnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride
SMILESCCCCc1c[c-]sc1Br.[Cl-].[Mg+2]
InChIInChI=1S/C8H10BrS.ClH.Mg/c1-2-3-4-7-5-6-10-8(7)9;;/h5H,2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyQRMRLJDHNXXAEV-UHFFFAOYSA-M
XLogP0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.90
LogP ≤ 50.28
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

1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
4,5-dibutylbenzene-1,2-dithiol
CID 140787148
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
4-butylthiophene-3-thiol
CID 86122597
3-bromo-4-heptylthiophene
CID 130384503
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
CID 132933176
CID 132933176
2-butylbenzenethiol;trihydrofluoride
CID 173024842
3,4-didecylthiophene
CID 21200004
5-bromo-3-hexyl-2-methylthiophene
CID 58352067

Frequently Asked Questions

What is the IUPAC name of magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride?
The IUPAC name of magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride (CID 87531251) is magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride.
What is the SMILES notation for magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride?
The canonical SMILES for magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride is CCCCc1c[c-]sc1Br.[Cl-].[Mg+2].
What is the InChIKey of magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride?
The InChIKey is QRMRLJDHNXXAEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10BrS.ClH.Mg/c1-2-3-4-7-5-6-10-8(7)9;;/h5H,2-4H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride?
magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride has a molecular weight of 277.90 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-bromo-4-butyl-2H-thiophen-2-ide;chloride is sourced from PubChem (CID 87531251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).