8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

C11H15NOS — CID 61291108

IUPAC8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1cccc2c1SC(C)CC2N
InChIInChI=1S/C11H15NOS/c1-7-6-9(12)8-4-3-5-10(13-2)11(8)14-7/h3-5,7,9H,6,12H2,1-2H3
InChIKeyLSTCEORVINQAST-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.58
Rot. Bonds1

About 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61291108) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61291108
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCOc1cccc2c1SC(C)CC2N
InChIInChI=1S/C11H15NOS/c1-7-6-9(12)8-4-3-5-10(13-2)11(8)14-7/h3-5,7,9H,6,12H2,1-2H3
InChIKeyLSTCEORVINQAST-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 61291108) is 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is COc1cccc2c1SC(C)CC2N.
What is the InChIKey of 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is LSTCEORVINQAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-6-9(12)8-4-3-5-10(13-2)11(8)14-7/h3-5,7,9H,6,12H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 209.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61291108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).