(4R)-3,4-dihydro-2H-thiochromen-4-ol

C9H10OS — CID 7812615

IUPAC(4R)-3,4-dihydro-2H-thiochromen-4-ol
SMILESO[C@@H]1CCSc2ccccc21
InChIInChI=1S/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
InChIKeyFWVSZXYNCFXKRT-MRVPVSSYSA-N
MW166.25 g/mol
LogP2.22
Rot. Bonds

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

(4R)-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 7812615) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is (4R)-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name(4R)-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID7812615
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name(4R)-3,4-dihydro-2H-thiochromen-4-ol
SMILESO[C@@H]1CCSc2ccccc21
InChIInChI=1S/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
InChIKeyFWVSZXYNCFXKRT-MRVPVSSYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of (4R)-3,4-dihydro-2H-thiochromen-4-ol (CID 7812615) is (4R)-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for (4R)-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for (4R)-3,4-dihydro-2H-thiochromen-4-ol is O[C@@H]1CCSc2ccccc21.
What is the InChIKey of (4R)-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is FWVSZXYNCFXKRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1.
What are the key properties of (4R)-3,4-dihydro-2H-thiochromen-4-ol?
(4R)-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 166.25 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 7812615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).