3-(3,4-dihydro-2H-thiochromen-3-yl)oxane

C14H18OS — CID 129157599

IUPAC3-(3,4-dihydro-2H-thiochromen-3-yl)oxane
SMILESc1ccc2c(c1)CC(C1CCCOC1)CS2
InChIInChI=1S/C14H18OS/c1-2-6-14-11(4-1)8-13(10-16-14)12-5-3-7-15-9-12/h1-2,4,6,12-13H,3,5,7-10H2
InChIKeyGLWYPALUOVRLCI-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.38
Rot. Bonds1

About 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane

3-(3,4-dihydro-2H-thiochromen-3-yl)oxane (PubChem CID 129157599) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-thiochromen-3-yl)oxane
PubChem CID129157599
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name3-(3,4-dihydro-2H-thiochromen-3-yl)oxane
SMILESc1ccc2c(c1)CC(C1CCCOC1)CS2
InChIInChI=1S/C14H18OS/c1-2-6-14-11(4-1)8-13(10-16-14)12-5-3-7-15-9-12/h1-2,4,6,12-13H,3,5,7-10H2
InChIKeyGLWYPALUOVRLCI-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
Thiochromanol
CID 23450714
(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol
CID 19982160
(4aR,8aS)-8a-(2,4-difluorophenyl)-3,4,4a,5,6,8-hexahydro-1H-thiopyrano[3,4-c]pyran
CID 71283137
(2R,4aR,10bR)-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H-thiochromeno[4,3-b]pyran
CID 11218879
9-Phenyl-5-oxa-1-thia-spiro[5.5]undecane
CID 15889392
7-Methoxy-7-methyl-6,6a,8,10a-tetrahydrobenzo[c]thiochromene
CID 102529815
(2R)-2-(9H-thioxanthen-9-yl)propan-1-ol
CID 134965364
(3S)-5',5'-dimethylspiro[2,4-dihydrothiochromene-3,2'-oxolane]
CID 138984166
Tetrahydro-2-((methylphenyl)thio)-2H-pyran
CID 3024121
(4aR,8aR)-2-phenylsulfanyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 361933
2-phenylsulfanyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 494492

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane?
The IUPAC name of 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane (CID 129157599) is 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane.
What is the SMILES notation for 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane?
The canonical SMILES for 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane is c1ccc2c(c1)CC(C1CCCOC1)CS2.
What is the InChIKey of 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane?
The InChIKey is GLWYPALUOVRLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-6-14-11(4-1)8-13(10-16-14)12-5-3-7-15-9-12/h1-2,4,6,12-13H,3,5,7-10H2.
What are the key properties of 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane?
3-(3,4-dihydro-2H-thiochromen-3-yl)oxane has a molecular weight of 234.36 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-thiochromen-3-yl)oxane is sourced from PubChem (CID 129157599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).