7-bromo-6-ethyl-1-benzothiophen-4-amine

C10H10BrNS — CID 131091615

IUPAC7-bromo-6-ethyl-1-benzothiophen-4-amine
SMILESCCc1cc(N)c2ccsc2c1Br
InChIInChI=1S/C10H10BrNS/c1-2-6-5-8(12)7-3-4-13-10(7)9(6)11/h3-5H,2,12H2,1H3
InChIKeyCCTPSUYAOJNSQE-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.81
Rot. Bonds1

About 7-bromo-6-ethyl-1-benzothiophen-4-amine

7-bromo-6-ethyl-1-benzothiophen-4-amine (PubChem CID 131091615) has the molecular formula C10H10BrNS and a molecular weight of 256.17 g/mol. Its IUPAC name is 7-bromo-6-ethyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name7-bromo-6-ethyl-1-benzothiophen-4-amine
PubChem CID131091615
Molecular FormulaC10H10BrNS
Molecular Weight256.17 g/mol
Exact Mass254.97
IUPAC Name7-bromo-6-ethyl-1-benzothiophen-4-amine
SMILESCCc1cc(N)c2ccsc2c1Br
InChIInChI=1S/C10H10BrNS/c1-2-6-5-8(12)7-3-4-13-10(7)9(6)11/h3-5H,2,12H2,1H3
InChIKeyCCTPSUYAOJNSQE-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-4,6-diethyl-1-benzothiophene
CID 130826571
7-bromo-6-ethoxy-1-benzothiophen-4-amine
CID 131031142
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
6-bromo-5-ethyl-1-benzothiophene-7-thiol
CID 130901233
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
4-amino-7-methyl-1-benzothiophene-6-carboxylic acid
CID 131076269
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-ethyl-1-benzothiophen-4-amine?
The IUPAC name of 7-bromo-6-ethyl-1-benzothiophen-4-amine (CID 131091615) is 7-bromo-6-ethyl-1-benzothiophen-4-amine.
What is the SMILES notation for 7-bromo-6-ethyl-1-benzothiophen-4-amine?
The canonical SMILES for 7-bromo-6-ethyl-1-benzothiophen-4-amine is CCc1cc(N)c2ccsc2c1Br.
What is the InChIKey of 7-bromo-6-ethyl-1-benzothiophen-4-amine?
The InChIKey is CCTPSUYAOJNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNS/c1-2-6-5-8(12)7-3-4-13-10(7)9(6)11/h3-5H,2,12H2,1H3.
What are the key properties of 7-bromo-6-ethyl-1-benzothiophen-4-amine?
7-bromo-6-ethyl-1-benzothiophen-4-amine has a molecular weight of 256.17 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-ethyl-1-benzothiophen-4-amine is sourced from PubChem (CID 131091615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).