4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol

C10H13NOS — CID 112709775

IUPAC4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
SMILESNCC1CCSc2cccc(O)c21
InChIInChI=1S/C10H13NOS/c11-6-7-4-5-13-9-3-1-2-8(12)10(7)9/h1-3,7,12H,4-6,11H2
InChIKeyQINQAXCFOOUUBD-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.93
Rot. Bonds1

About 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol

4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol (PubChem CID 112709775) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
PubChem CID112709775
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
SMILESNCC1CCSc2cccc(O)c21
InChIInChI=1S/C10H13NOS/c11-6-7-4-5-13-9-3-1-2-8(12)10(7)9/h1-3,7,12H,4-6,11H2
InChIKeyQINQAXCFOOUUBD-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol?
The IUPAC name of 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol (CID 112709775) is 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol.
What is the SMILES notation for 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol?
The canonical SMILES for 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol is NCC1CCSc2cccc(O)c21.
What is the InChIKey of 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol?
The InChIKey is QINQAXCFOOUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-6-7-4-5-13-9-3-1-2-8(12)10(7)9/h1-3,7,12H,4-6,11H2.
What are the key properties of 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol?
4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol has a molecular weight of 195.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol is sourced from PubChem (CID 112709775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).