(6-amino-5-bromo-1-benzothiophen-4-yl)methanol

C9H8BrNOS — CID 130805448

IUPAC(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
SMILESNc1cc2sccc2c(CO)c1Br
InChIInChI=1S/C9H8BrNOS/c10-9-6(4-12)5-1-2-13-8(5)3-7(9)11/h1-3,12H,4,11H2
InChIKeyPLCNFIWHIOWHNT-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.74
Rot. Bonds1

About (6-amino-5-bromo-1-benzothiophen-4-yl)methanol

(6-amino-5-bromo-1-benzothiophen-4-yl)methanol (PubChem CID 130805448) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is (6-amino-5-bromo-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
PubChem CID130805448
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
SMILESNc1cc2sccc2c(CO)c1Br
InChIInChI=1S/C9H8BrNOS/c10-9-6(4-12)5-1-2-13-8(5)3-7(9)11/h1-3,12H,4,11H2
InChIKeyPLCNFIWHIOWHNT-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-6-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 131145040
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
6-amino-1-benzothiophene-4,5-diol
CID 84657940
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
5-amino-4-bromo-1-benzothiophen-6-ol
CID 130941897
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
[4-amino-5-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130803320
(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130985925
6-fluoro-4-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
CID 130951884

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-bromo-1-benzothiophen-4-yl)methanol?
The IUPAC name of (6-amino-5-bromo-1-benzothiophen-4-yl)methanol (CID 130805448) is (6-amino-5-bromo-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (6-amino-5-bromo-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (6-amino-5-bromo-1-benzothiophen-4-yl)methanol is Nc1cc2sccc2c(CO)c1Br.
What is the InChIKey of (6-amino-5-bromo-1-benzothiophen-4-yl)methanol?
The InChIKey is PLCNFIWHIOWHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-9-6(4-12)5-1-2-13-8(5)3-7(9)11/h1-3,12H,4,11H2.
What are the key properties of (6-amino-5-bromo-1-benzothiophen-4-yl)methanol?
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol has a molecular weight of 258.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-bromo-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130805448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).