2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene

C10H13Br2ClS — CID 114876055

IUPAC2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
SMILESCCC(C)CC(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C10H13Br2ClS/c1-3-6(2)4-8(13)7-5-9(11)14-10(7)12/h5-6,8H,3-4H2,1-2H3
InChIKeyHQIRBLNMPIGRSA-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.99
Rot. Bonds4

About 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene

2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene (PubChem CID 114876055) has the molecular formula C10H13Br2ClS and a molecular weight of 360.54 g/mol. Its IUPAC name is 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
PubChem CID114876055
Molecular FormulaC10H13Br2ClS
Molecular Weight360.54 g/mol
Exact Mass357.88
IUPAC Name2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
SMILESCCC(C)CC(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C10H13Br2ClS/c1-3-6(2)4-8(13)7-5-9(11)14-10(7)12/h5-6,8H,3-4H2,1-2H3
InChIKeyHQIRBLNMPIGRSA-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-3-(1-chlorododecyl)thiophene
CID 65427146
2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
CID 114876054
2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene
CID 63436226
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
1-bromo-4-(1-chloro-3-methylpentyl)benzene
CID 114875996
3-(1-chloro-3-methylpentyl)-1,2,4,5-tetramethylbenzene
CID 114876027
2,5-dibromo-3-[chloro-(2-ethoxyphenyl)methyl]thiophene
CID 55198913
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
CID 114876229

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene (CID 114876055) is 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene is CCC(C)CC(Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene?
The InChIKey is HQIRBLNMPIGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2ClS/c1-3-6(2)4-8(13)7-5-9(11)14-10(7)12/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene?
2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene has a molecular weight of 360.54 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene is sourced from PubChem (CID 114876055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).