7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol

C10H9BrOS2 — CID 130969983

IUPAC7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
SMILESCSc1cc2cc(O)cc(CBr)c2s1
InChIInChI=1S/C10H9BrOS2/c1-13-9-4-6-2-8(12)3-7(5-11)10(6)14-9/h2-4,12H,5H2,1H3
InChIKeyBIXSNVPGWFMAHJ-UHFFFAOYSA-N
MW289.22 g/mol
LogP4.22
Rot. Bonds2

About 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol

7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol (PubChem CID 130969983) has the molecular formula C10H9BrOS2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
PubChem CID130969983
Molecular FormulaC10H9BrOS2
Molecular Weight289.22 g/mol
Exact Mass287.93
IUPAC Name7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
SMILESCSc1cc2cc(O)cc(CBr)c2s1
InChIInChI=1S/C10H9BrOS2/c1-13-9-4-6-2-8(12)3-7(5-11)10(6)14-9/h2-4,12H,5H2,1H3
InChIKeyBIXSNVPGWFMAHJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-amine
CID 130866427
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
CID 130944032
7-ethyl-2-sulfanyl-1-benzothiophen-5-ol
CID 131145551
6-fluoro-2-methylsulfanyl-1-benzothiophen-7-ol
CID 131219113
3-bromo-7-(bromomethyl)-1-benzothiophen-5-ol
CID 130987984
5-(bromomethyl)-4-fluorobenzene-1,3-diol
CID 156868769
2-(bromomethyl)-5-hydroxy-1-benzothiophene-7-carbonitrile
CID 130826649
6-bromo-5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene
CID 130788795
7-(bromomethyl)-5-iodo-1-benzothiophene-2-thiol
CID 130969657
6-fluoro-2-methylsulfanyl-1-benzothiophene-7-thiol
CID 130898870
7-iodo-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821607
5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol
CID 118565985

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol?
The IUPAC name of 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol (CID 130969983) is 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol.
What is the SMILES notation for 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol?
The canonical SMILES for 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol is CSc1cc2cc(O)cc(CBr)c2s1.
What is the InChIKey of 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol?
The InChIKey is BIXSNVPGWFMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS2/c1-13-9-4-6-2-8(12)3-7(5-11)10(6)14-9/h2-4,12H,5H2,1H3.
What are the key properties of 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol?
7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol has a molecular weight of 289.22 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol is sourced from PubChem (CID 130969983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).