2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone

C15H18O2S — CID 113451289

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)C1CCCS1
InChIInChI=1S/C15H18O2S/c16-13(15-6-3-9-18-15)10-11-7-8-17-14-5-2-1-4-12(11)14/h1-2,4-5,11,15H,3,6-10H2
InChIKeyDHGVRENULJSMDK-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.41
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone (PubChem CID 113451289) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone
PubChem CID113451289
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)C1CCCS1
InChIInChI=1S/C15H18O2S/c16-13(15-6-3-9-18-15)10-11-7-8-17-14-5-2-1-4-12(11)14/h1-2,4-5,11,15H,3,6-10H2
InChIKeyDHGVRENULJSMDK-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(1,4-oxathian-2-yl)ethanone
CID 113451283
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(thiolan-2-yl)ethanone
CID 80621935
2-(3,4-dihydro-2H-chromen-4-yl)-1-piperidin-3-ylethanone
CID 116548013
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 115798747
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595189
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone (CID 113451289) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone is O=C(CC1CCOc2ccccc21)C1CCCS1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone?
The InChIKey is DHGVRENULJSMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c16-13(15-6-3-9-18-15)10-11-7-8-17-14-5-2-1-4-12(11)14/h1-2,4-5,11,15H,3,6-10H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone has a molecular weight of 262.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 113451289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).