2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene

C12H13BrS2 — CID 130763345

IUPAC2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2csc(C)c2)s1
InChIInChI=1S/C12H13BrS2/c1-3-10-4-5-11(15-10)12(13)9-6-8(2)14-7-9/h4-7,12H,3H2,1-2H3
InChIKeyRRHMFJVMHDTCRD-UHFFFAOYSA-N
MW301.27 g/mol
LogP5.16
Rot. Bonds3

About 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene

2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene (PubChem CID 130763345) has the molecular formula C12H13BrS2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene
PubChem CID130763345
Molecular FormulaC12H13BrS2
Molecular Weight301.27 g/mol
Exact Mass299.96
IUPAC Name2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2csc(C)c2)s1
InChIInChI=1S/C12H13BrS2/c1-3-10-4-5-11(15-10)12(13)9-6-8(2)14-7-9/h4-7,12H,3H2,1-2H3
InChIKeyRRHMFJVMHDTCRD-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.27
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440927
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
2-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylthiophene
CID 63438170
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835721
2-[bromo-(4-fluoro-2,6-dimethylphenyl)methyl]-5-ethylthiophene
CID 106880074
5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene
CID 81284879
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
2-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-5-ethylthiophene
CID 107477597

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene (CID 130763345) is 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene is CCc1ccc(C(Br)c2csc(C)c2)s1.
What is the InChIKey of 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene?
The InChIKey is RRHMFJVMHDTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrS2/c1-3-10-4-5-11(15-10)12(13)9-6-8(2)14-7-9/h4-7,12H,3H2,1-2H3.
What are the key properties of 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene?
2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene has a molecular weight of 301.27 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene is sourced from PubChem (CID 130763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).