4,6-dichloro-1-benzothiophen-7-amine

C8H5Cl2NS — CID 131198058

IUPAC4,6-dichloro-1-benzothiophen-7-amine
SMILESNc1c(Cl)cc(Cl)c2ccsc12
InChIInChI=1S/C8H5Cl2NS/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3H,11H2
InChIKeyNSAMFFUMRCNXGH-UHFFFAOYSA-N
MW218.11 g/mol
LogP3.79
Rot. Bonds

About 4,6-dichloro-1-benzothiophen-7-amine

4,6-dichloro-1-benzothiophen-7-amine (PubChem CID 131198058) has the molecular formula C8H5Cl2NS and a molecular weight of 218.11 g/mol. Its IUPAC name is 4,6-dichloro-1-benzothiophen-7-amine.

Molecular Properties

Compound Name4,6-dichloro-1-benzothiophen-7-amine
PubChem CID131198058
Molecular FormulaC8H5Cl2NS
Molecular Weight218.11 g/mol
Exact Mass216.95
IUPAC Name4,6-dichloro-1-benzothiophen-7-amine
SMILESNc1c(Cl)cc(Cl)c2ccsc12
InChIInChI=1S/C8H5Cl2NS/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3H,11H2
InChIKeyNSAMFFUMRCNXGH-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-benzothiophen-7-amine?
The IUPAC name of 4,6-dichloro-1-benzothiophen-7-amine (CID 131198058) is 4,6-dichloro-1-benzothiophen-7-amine.
What is the SMILES notation for 4,6-dichloro-1-benzothiophen-7-amine?
The canonical SMILES for 4,6-dichloro-1-benzothiophen-7-amine is Nc1c(Cl)cc(Cl)c2ccsc12.
What is the InChIKey of 4,6-dichloro-1-benzothiophen-7-amine?
The InChIKey is NSAMFFUMRCNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NS/c9-5-3-6(10)7(11)8-4(5)1-2-12-8/h1-3H,11H2.
What are the key properties of 4,6-dichloro-1-benzothiophen-7-amine?
4,6-dichloro-1-benzothiophen-7-amine has a molecular weight of 218.11 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-benzothiophen-7-amine is sourced from PubChem (CID 131198058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).