5-chloro-4-methoxy-1-benzothiophen-7-amine

C9H8ClNOS — CID 130823667

IUPAC5-chloro-4-methoxy-1-benzothiophen-7-amine
SMILESCOc1c(Cl)cc(N)c2sccc12
InChIInChI=1S/C9H8ClNOS/c1-12-8-5-2-3-13-9(5)7(11)4-6(8)10/h2-4H,11H2,1H3
InChIKeyNTIUZTZFDGOKQK-UHFFFAOYSA-N
MW213.69 g/mol
LogP3.15
Rot. Bonds1

About 5-chloro-4-methoxy-1-benzothiophen-7-amine

5-chloro-4-methoxy-1-benzothiophen-7-amine (PubChem CID 130823667) has the molecular formula C9H8ClNOS and a molecular weight of 213.69 g/mol. Its IUPAC name is 5-chloro-4-methoxy-1-benzothiophen-7-amine.

Molecular Properties

Compound Name5-chloro-4-methoxy-1-benzothiophen-7-amine
PubChem CID130823667
Molecular FormulaC9H8ClNOS
Molecular Weight213.69 g/mol
Exact Mass213.00
IUPAC Name5-chloro-4-methoxy-1-benzothiophen-7-amine
SMILESCOc1c(Cl)cc(N)c2sccc12
InChIInChI=1S/C9H8ClNOS/c1-12-8-5-2-3-13-9(5)7(11)4-6(8)10/h2-4H,11H2,1H3
InChIKeyNTIUZTZFDGOKQK-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-benzothiophene-6,7-diamine
CID 131191037
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
4,6-dichloro-1-benzothiophen-7-amine
CID 131198058
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
3,5-dichloro-2-methoxyaniline
CID 11217747
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-1-benzothiophen-7-amine?
The IUPAC name of 5-chloro-4-methoxy-1-benzothiophen-7-amine (CID 130823667) is 5-chloro-4-methoxy-1-benzothiophen-7-amine.
What is the SMILES notation for 5-chloro-4-methoxy-1-benzothiophen-7-amine?
The canonical SMILES for 5-chloro-4-methoxy-1-benzothiophen-7-amine is COc1c(Cl)cc(N)c2sccc12.
What is the InChIKey of 5-chloro-4-methoxy-1-benzothiophen-7-amine?
The InChIKey is NTIUZTZFDGOKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNOS/c1-12-8-5-2-3-13-9(5)7(11)4-6(8)10/h2-4H,11H2,1H3.
What are the key properties of 5-chloro-4-methoxy-1-benzothiophen-7-amine?
5-chloro-4-methoxy-1-benzothiophen-7-amine has a molecular weight of 213.69 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-1-benzothiophen-7-amine is sourced from PubChem (CID 130823667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).