3,4-dihydro-2H-thiochromen-4-ylmethanamine

C10H13NS — CID 82409281

IUPAC3,4-dihydro-2H-thiochromen-4-ylmethanamine
SMILESNCC1CCSc2ccccc21
InChIInChI=1S/C10H13NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7,11H2
InChIKeyJHGVEOQYLIGEIJ-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.22
Rot. Bonds1

About 3,4-dihydro-2H-thiochromen-4-ylmethanamine

3,4-dihydro-2H-thiochromen-4-ylmethanamine (PubChem CID 82409281) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-4-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-4-ylmethanamine
PubChem CID82409281
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3,4-dihydro-2H-thiochromen-4-ylmethanamine
SMILESNCC1CCSc2ccccc21
InChIInChI=1S/C10H13NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7,11H2
InChIKeyJHGVEOQYLIGEIJ-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromen-4-ylmethanamine?
The IUPAC name of 3,4-dihydro-2H-thiochromen-4-ylmethanamine (CID 82409281) is 3,4-dihydro-2H-thiochromen-4-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-4-ylmethanamine?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-4-ylmethanamine is NCC1CCSc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-4-ylmethanamine?
The InChIKey is JHGVEOQYLIGEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-7,11H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-4-ylmethanamine?
3,4-dihydro-2H-thiochromen-4-ylmethanamine has a molecular weight of 179.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromen-4-ylmethanamine is sourced from PubChem (CID 82409281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).