2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene

C10H8Br2OS2 — CID 81124929

IUPAC2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
SMILESCOc1ccsc1C(Br)c1ccc(Br)s1
InChIInChI=1S/C10H8Br2OS2/c1-13-6-4-5-14-10(6)9(12)7-2-3-8(11)15-7/h2-5,9H,1H3
InChIKeyKLDCWJUODJFXQX-UHFFFAOYSA-N
MW368.12 g/mol
LogP5.07
Rot. Bonds3

About 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene

2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene (PubChem CID 81124929) has the molecular formula C10H8Br2OS2 and a molecular weight of 368.12 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
PubChem CID81124929
Molecular FormulaC10H8Br2OS2
Molecular Weight368.12 g/mol
Exact Mass365.84
IUPAC Name2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
SMILESCOc1ccsc1C(Br)c1ccc(Br)s1
InChIInChI=1S/C10H8Br2OS2/c1-13-6-4-5-14-10(6)9(12)7-2-3-8(11)15-7/h2-5,9H,1H3
InChIKeyKLDCWJUODJFXQX-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.12
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115785760
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840988
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 83068073
2-[bromo-(4-phenylphenyl)methyl]-3-methoxythiophene
CID 81119082
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene (CID 81124929) is 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene is COc1ccsc1C(Br)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene?
The InChIKey is KLDCWJUODJFXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2OS2/c1-13-6-4-5-14-10(6)9(12)7-2-3-8(11)15-7/h2-5,9H,1H3.
What are the key properties of 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene?
2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene has a molecular weight of 368.12 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 81124929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).