3,4-dihydro-2H-thiochromen-6-ylmethanamine

C10H13NS — CID 54426142

IUPAC3,4-dihydro-2H-thiochromen-6-ylmethanamine
SMILESNCc1ccc2c(c1)CCCS2
InChIInChI=1S/C10H13NS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7,11H2
InChIKeyWEFHXQKAAMAHBX-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.18
Rot. Bonds1

About 3,4-dihydro-2H-thiochromen-6-ylmethanamine

3,4-dihydro-2H-thiochromen-6-ylmethanamine (PubChem CID 54426142) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-6-ylmethanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-6-ylmethanamine
PubChem CID54426142
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3,4-dihydro-2H-thiochromen-6-ylmethanamine
SMILESNCc1ccc2c(c1)CCCS2
InChIInChI=1S/C10H13NS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7,11H2
InChIKeyWEFHXQKAAMAHBX-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-6-ylmethanamine?
The IUPAC name of 3,4-dihydro-2H-thiochromen-6-ylmethanamine (CID 54426142) is 3,4-dihydro-2H-thiochromen-6-ylmethanamine.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-6-ylmethanamine?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-6-ylmethanamine is NCc1ccc2c(c1)CCCS2.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-6-ylmethanamine?
The InChIKey is WEFHXQKAAMAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6H,1-2,5,7,11H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-6-ylmethanamine?
3,4-dihydro-2H-thiochromen-6-ylmethanamine has a molecular weight of 179.29 g/mol, XLogP of 2.18, 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-6-ylmethanamine is sourced from PubChem (CID 54426142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).