3-amino-6-methyl-2,3-dihydrothiochromen-4-one

C10H11NOS — CID 5180146

IUPAC3-amino-6-methyl-2,3-dihydrothiochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(N)CS2
InChIInChI=1S/C10H11NOS/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-4,8H,5,11H2,1H3
InChIKeyLJTIESBIHMPORZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.61
Rot. Bonds

About 3-amino-6-methyl-2,3-dihydrothiochromen-4-one

3-amino-6-methyl-2,3-dihydrothiochromen-4-one (PubChem CID 5180146) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-amino-6-methyl-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name3-amino-6-methyl-2,3-dihydrothiochromen-4-one
PubChem CID5180146
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-amino-6-methyl-2,3-dihydrothiochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(N)CS2
InChIInChI=1S/C10H11NOS/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-4,8H,5,11H2,1H3
InChIKeyLJTIESBIHMPORZ-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-2,3-dihydrothiochromen-4-one?
The IUPAC name of 3-amino-6-methyl-2,3-dihydrothiochromen-4-one (CID 5180146) is 3-amino-6-methyl-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 3-amino-6-methyl-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 3-amino-6-methyl-2,3-dihydrothiochromen-4-one is Cc1ccc2c(c1)C(=O)C(N)CS2.
What is the InChIKey of 3-amino-6-methyl-2,3-dihydrothiochromen-4-one?
The InChIKey is LJTIESBIHMPORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-2-3-9-7(4-6)10(12)8(11)5-13-9/h2-4,8H,5,11H2,1H3.
What are the key properties of 3-amino-6-methyl-2,3-dihydrothiochromen-4-one?
3-amino-6-methyl-2,3-dihydrothiochromen-4-one has a molecular weight of 193.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 5180146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).