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

C10H12FNOS — CID 112710348

IUPAC5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol
SMILESCNC1CSc2cccc(F)c2C1O
InChIInChI=1S/C10H12FNOS/c1-12-7-5-14-8-4-2-3-6(11)9(8)10(7)13/h2-4,7,10,12-13H,5H2,1H3
InChIKeyBHDSMIAUJLAFIG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds1

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

5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 112710348) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID112710348
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol
SMILESCNC1CSc2cccc(F)c2C1O
InChIInChI=1S/C10H12FNOS/c1-12-7-5-14-8-4-2-3-6(11)9(8)10(7)13/h2-4,7,10,12-13H,5H2,1H3
InChIKeyBHDSMIAUJLAFIG-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol (CID 112710348) is 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol is CNC1CSc2cccc(F)c2C1O.
What is the InChIKey of 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is BHDSMIAUJLAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-12-7-5-14-8-4-2-3-6(11)9(8)10(7)13/h2-4,7,10,12-13H,5H2,1H3.
What are the key properties of 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol?
5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 213.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(methylamino)-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 112710348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).