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

C9H10OS — CID 8001140

IUPAC(4S)-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-/m0/s1
InChIKeyFWVSZXYNCFXKRT-QMMMGPOBSA-N
MW166.25 g/mol
LogP2.22
Rot. Bonds

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

(4S)-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 8001140) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is (4S)-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name(4S)-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID8001140
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name(4S)-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-/m0/s1
InChIKeyFWVSZXYNCFXKRT-QMMMGPOBSA-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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Related Compounds

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Phenyl(2-thienyl)methanol
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3,4-dihydro-1H-2-benzothiopyran-4-ol
CID 319249
[2-(Phenylsulfanyl)phenyl]methanol
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(4R)-3,4-dihydro-2H-1-benzothiopyran-4-ol
CID 7812615
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
3,4-Dihydro-2H-1-benzothiopyran-4-ol
CID 375102
p-(Phenylthio)benzyl alcohol
CID 80593
1,1,1-Trifluoro-3-[2-(hydroxymethyl)phenyl]sulfanylpropan-2-one
CID 76320291
1-Thianthren-2-ylethanol
CID 515169
METITEPINE_met011
CID 13597048
1-Phenyl-2-(methylthio)ethanol
CID 3014579

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of (4S)-3,4-dihydro-2H-thiochromen-4-ol (CID 8001140) is (4S)-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for (4S)-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for (4S)-3,4-dihydro-2H-thiochromen-4-ol is O[C@H]1CCSc2ccccc21.
What is the InChIKey of (4S)-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is FWVSZXYNCFXKRT-QMMMGPOBSA-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-/m0/s1.
What are the key properties of (4S)-3,4-dihydro-2H-thiochromen-4-ol?
(4S)-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 (4S)-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 8001140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).