7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene

C10H8BrClS — CID 130788277

IUPAC7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene
SMILESCc1sc2c(CBr)cccc2c1Cl
InChIInChI=1S/C10H8BrClS/c1-6-9(12)8-4-2-3-7(5-11)10(8)13-6/h2-4H,5H2,1H3
InChIKeyADEDAIGWIRXHSX-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.76
Rot. Bonds1

About 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene

7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene (PubChem CID 130788277) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene
PubChem CID130788277
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene
SMILESCc1sc2c(CBr)cccc2c1Cl
InChIInChI=1S/C10H8BrClS/c1-6-9(12)8-4-2-3-7(5-11)10(8)13-6/h2-4H,5H2,1H3
InChIKeyADEDAIGWIRXHSX-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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

3-bromo-7-(bromomethyl)-2-iodo-1-benzothiophene
CID 130969225
7-(bromomethyl)-2-ethyl-3-fluoro-1-benzothiophene
CID 131146368
7-(bromomethyl)-2-chloro-1-benzothiophene-3-carbonitrile
CID 130803659
7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
2-(bromomethyl)-3,7-dichloro-1-benzothiophene
CID 131169650
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
2-(3-bromo-2-methyl-1-benzothiophen-7-yl)acetaldehyde
CID 87714844
[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
CID 130803856
1,5,9-tris(bromomethyl)triphenylene
CID 11071234
4-(bromomethyl)-2-chloro-1-benzothiophene
CID 14780509
ethane;4-ethyldibenzothiophene
CID 123227550

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene?
The IUPAC name of 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene (CID 130788277) is 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene.
What is the SMILES notation for 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene?
The canonical SMILES for 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene is Cc1sc2c(CBr)cccc2c1Cl.
What is the InChIKey of 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene?
The InChIKey is ADEDAIGWIRXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-6-9(12)8-4-2-3-7(5-11)10(8)13-6/h2-4H,5H2,1H3.
What are the key properties of 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene?
7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene has a molecular weight of 275.60 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene is sourced from PubChem (CID 130788277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).