3,4-dihydro-2H-thiochromen-2-ol

C9H10OS — CID 23450714

IUPAC3,4-dihydro-2H-thiochromen-2-ol
SMILESOC1CCc2ccccc2S1
InChIInChI=1S/C9H10OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9-10H,5-6H2
InChIKeyLJHYYURORLFPOJ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.04
Rot. Bonds

About 3,4-dihydro-2H-thiochromen-2-ol

3,4-dihydro-2H-thiochromen-2-ol (PubChem CID 23450714) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-2-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-2-ol
PubChem CID23450714
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name3,4-dihydro-2H-thiochromen-2-ol
SMILESOC1CCc2ccccc2S1
InChIInChI=1S/C9H10OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9-10H,5-6H2
InChIKeyLJHYYURORLFPOJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11149916
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CID 79229061
5,6,6a,11a-tetrahydronaphtho[1,2-b][1]benzothiole
CID 10847548
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 79224668
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 130171257
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
2,3-dihydro-1-benzothiophene-2-carboxylate
CID 74756271
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 53322291

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromen-2-ol?
The IUPAC name of 3,4-dihydro-2H-thiochromen-2-ol (CID 23450714) is 3,4-dihydro-2H-thiochromen-2-ol.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-2-ol?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-2-ol is OC1CCc2ccccc2S1.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-2-ol?
The InChIKey is LJHYYURORLFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9-10H,5-6H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-2-ol?
3,4-dihydro-2H-thiochromen-2-ol has a molecular weight of 166.25 g/mol, XLogP of 2.04, 0 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-2-ol is sourced from PubChem (CID 23450714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).