6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene

C10H7BrCl2S — CID 70540703

IUPAC6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene
SMILESClC(Cl)Cc1csc2cc(Br)ccc12
InChIInChI=1S/C10H7BrCl2S/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,10H,3H2
InChIKeyYYSNJCRZIXNLMS-UHFFFAOYSA-N
MW310.04 g/mol
LogP5.01
Rot. Bonds2

About 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene

6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene (PubChem CID 70540703) has the molecular formula C10H7BrCl2S and a molecular weight of 310.04 g/mol. Its IUPAC name is 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene
PubChem CID70540703
Molecular FormulaC10H7BrCl2S
Molecular Weight310.04 g/mol
Exact Mass307.88
IUPAC Name6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene
SMILESClC(Cl)Cc1csc2cc(Br)ccc12
InChIInChI=1S/C10H7BrCl2S/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,10H,3H2
InChIKeyYYSNJCRZIXNLMS-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.04
LogP ≤ 55.01
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

N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178182
3-(6-bromo-1-benzothiophen-3-yl)propanoic acid
CID 117121877
1-[(6-bromo-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 117178039
2-[1-(6-bromo-1-benzothiophen-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 139692015
4-[(6-bromo-1-benzothiophen-3-yl)methyl]morpholine
CID 117178058
3-(5-bromo-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117120735
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
5-bromo-3-prop-2-enyl-1-benzothiophene
CID 154710400
N-(1-benzothiophen-3-ylmethyl)-4-bromo-2-chloroaniline
CID 55197503
[2-(1-benzothiophen-3-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222485
5-bromo-1-benzothiophene-3-carboxylic acid;6-bromo-1-benzothiophene-3-carboxylic acid
CID 67631930
(5-bromo-1-benzothiophen-3-yl)methyl-diethylazanium
CID 6947550

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene?
The IUPAC name of 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene (CID 70540703) is 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene.
What is the SMILES notation for 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene?
The canonical SMILES for 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene is ClC(Cl)Cc1csc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene?
The InChIKey is YYSNJCRZIXNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2S/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,10H,3H2.
What are the key properties of 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene?
6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene has a molecular weight of 310.04 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,2-dichloroethyl)-1-benzothiophene is sourced from PubChem (CID 70540703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).