4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene

C10H8BrClS — CID 130785925

IUPAC4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene
SMILESCc1cc2c(Br)cc(CCl)cc2s1
InChIInChI=1S/C10H8BrClS/c1-6-2-8-9(11)3-7(5-12)4-10(8)13-6/h2-4H,5H2,1H3
InChIKeyWCTVKVSBEFEVHY-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.71
Rot. Bonds1

About 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene

4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene (PubChem CID 130785925) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene
PubChem CID130785925
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene
SMILESCc1cc2c(Br)cc(CCl)cc2s1
InChIInChI=1S/C10H8BrClS/c1-6-2-8-9(11)3-7(5-12)4-10(8)13-6/h2-4H,5H2,1H3
InChIKeyWCTVKVSBEFEVHY-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 54.71
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

1,3-dibromo-5-(chloromethyl)-2-(2-methylpropoxy)benzene
CID 107745281
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
1,3-dibromo-5-(chloromethyl)-2-(3,3-dimethylbutoxy)benzene
CID 107745345
(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
CID 130788851
1,3-dibromo-5-(chloromethyl)-2-(2-propylsulfonylethoxy)benzene
CID 107745574
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437
4-(bromomethyl)-2-methyl-1-benzothiophene-6-thiol
CID 131218246
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
6-bromo-5-chloro-2-methyl-1-benzothiophene
CID 130970547
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701
2-bromo-6-(chloromethyl)-1-benzothiophen-3-amine
CID 130969350
6-(chloromethyl)-3-methyl-1-benzothiophen-2-ol
CID 130971138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene?
The IUPAC name of 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene (CID 130785925) is 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene?
The canonical SMILES for 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene is Cc1cc2c(Br)cc(CCl)cc2s1.
What is the InChIKey of 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene?
The InChIKey is WCTVKVSBEFEVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-6-2-8-9(11)3-7(5-12)4-10(8)13-6/h2-4H,5H2,1H3.
What are the key properties of 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene?
4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene has a molecular weight of 275.60 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene is sourced from PubChem (CID 130785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).