2-bromo-7-methoxy-1-benzothiophen-3-amine

C9H8BrNOS — CID 130798724

IUPAC2-bromo-7-methoxy-1-benzothiophen-3-amine
SMILESCOc1cccc2c(N)c(Br)sc12
InChIInChI=1S/C9H8BrNOS/c1-12-6-4-2-3-5-7(11)9(10)13-8(5)6/h2-4H,11H2,1H3
InChIKeyWEHGMZIACOFXDN-UHFFFAOYSA-N
MW258.14 g/mol
LogP3.25
Rot. Bonds1

About 2-bromo-7-methoxy-1-benzothiophen-3-amine

2-bromo-7-methoxy-1-benzothiophen-3-amine (PubChem CID 130798724) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-bromo-7-methoxy-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-bromo-7-methoxy-1-benzothiophen-3-amine
PubChem CID130798724
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name2-bromo-7-methoxy-1-benzothiophen-3-amine
SMILESCOc1cccc2c(N)c(Br)sc12
InChIInChI=1S/C9H8BrNOS/c1-12-6-4-2-3-5-7(11)9(10)13-8(5)6/h2-4H,11H2,1H3
InChIKeyWEHGMZIACOFXDN-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-nitro-1-benzothiophen-3-amine
CID 19800078
3-bromo-6-methoxydibenzothiophene
CID 166155743
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
2,6-dimethoxyaniline;ethane
CID 145233133
1-methoxyanthracen-9-amine
CID 23131408
2-amino-5-methoxythioxanthen-9-one
CID 89020370
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141
2-amino-7-methoxy-1-benzothiophene-4-thiol
CID 130820839
methanol;1-methoxynaphthalene;neptunium
CID 157299455
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
CID 83825002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methoxy-1-benzothiophen-3-amine?
The IUPAC name of 2-bromo-7-methoxy-1-benzothiophen-3-amine (CID 130798724) is 2-bromo-7-methoxy-1-benzothiophen-3-amine.
What is the SMILES notation for 2-bromo-7-methoxy-1-benzothiophen-3-amine?
The canonical SMILES for 2-bromo-7-methoxy-1-benzothiophen-3-amine is COc1cccc2c(N)c(Br)sc12.
What is the InChIKey of 2-bromo-7-methoxy-1-benzothiophen-3-amine?
The InChIKey is WEHGMZIACOFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c1-12-6-4-2-3-5-7(11)9(10)13-8(5)6/h2-4H,11H2,1H3.
What are the key properties of 2-bromo-7-methoxy-1-benzothiophen-3-amine?
2-bromo-7-methoxy-1-benzothiophen-3-amine has a molecular weight of 258.14 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methoxy-1-benzothiophen-3-amine is sourced from PubChem (CID 130798724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).