4,6-dimethoxy-1-benzothiophen-2-amine

C10H11NO2S — CID 131192275

IUPAC4,6-dimethoxy-1-benzothiophen-2-amine
SMILESCOc1cc(OC)c2cc(N)sc2c1
InChIInChI=1S/C10H11NO2S/c1-12-6-3-8(13-2)7-5-10(11)14-9(7)4-6/h3-5H,11H2,1-2H3
InChIKeyLKHYYPSRQZYJNZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.50
Rot. Bonds2

About 4,6-dimethoxy-1-benzothiophen-2-amine

4,6-dimethoxy-1-benzothiophen-2-amine (PubChem CID 131192275) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4,6-dimethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-1-benzothiophen-2-amine
PubChem CID131192275
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4,6-dimethoxy-1-benzothiophen-2-amine
SMILESCOc1cc(OC)c2cc(N)sc2c1
InChIInChI=1S/C10H11NO2S/c1-12-6-3-8(13-2)7-5-10(11)14-9(7)4-6/h3-5H,11H2,1-2H3
InChIKeyLKHYYPSRQZYJNZ-UHFFFAOYSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-benzothiophen-2-amine?
The IUPAC name of 4,6-dimethoxy-1-benzothiophen-2-amine (CID 131192275) is 4,6-dimethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 4,6-dimethoxy-1-benzothiophen-2-amine?
The canonical SMILES for 4,6-dimethoxy-1-benzothiophen-2-amine is COc1cc(OC)c2cc(N)sc2c1.
What is the InChIKey of 4,6-dimethoxy-1-benzothiophen-2-amine?
The InChIKey is LKHYYPSRQZYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-12-6-3-8(13-2)7-5-10(11)14-9(7)4-6/h3-5H,11H2,1-2H3.
What are the key properties of 4,6-dimethoxy-1-benzothiophen-2-amine?
4,6-dimethoxy-1-benzothiophen-2-amine has a molecular weight of 209.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 131192275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).