5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene

C12H12BrClS2 — CID 102764860

IUPAC5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
SMILESCCc1ccc(C(Br)c2cc(C)c(Cl)s2)s1
InChIInChI=1S/C12H12BrClS2/c1-3-8-4-5-9(15-8)11(13)10-6-7(2)12(14)16-10/h4-6,11H,3H2,1-2H3
InChIKeyBYQHWOYMTQSVPK-UHFFFAOYSA-N
MW335.72 g/mol
LogP5.82
Rot. Bonds3

About 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102764860) has the molecular formula C12H12BrClS2 and a molecular weight of 335.72 g/mol. Its IUPAC name is 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
PubChem CID102764860
Molecular FormulaC12H12BrClS2
Molecular Weight335.72 g/mol
Exact Mass333.93
IUPAC Name5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
SMILESCCc1ccc(C(Br)c2cc(C)c(Cl)s2)s1
InChIInChI=1S/C12H12BrClS2/c1-3-8-4-5-9(15-8)11(13)10-6-7(2)12(14)16-10/h4-6,11H,3H2,1-2H3
InChIKeyBYQHWOYMTQSVPK-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.72
LogP ≤ 55.82
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

5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835721
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993
2-[bromo-(4-fluoro-2,6-dimethylphenyl)methyl]-5-ethylthiophene
CID 106880074
2-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylthiophene
CID 63438170
4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440927
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene (CID 102764860) is 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene is CCc1ccc(C(Br)c2cc(C)c(Cl)s2)s1.
What is the InChIKey of 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is BYQHWOYMTQSVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClS2/c1-3-8-4-5-9(15-8)11(13)10-6-7(2)12(14)16-10/h4-6,11H,3H2,1-2H3.
What are the key properties of 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 335.72 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).