2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene

C13H18OS — CID 139973360

IUPAC2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene
SMILESCCC1CCc2cc(OC)c(C)cc2S1
InChIInChI=1S/C13H18OS/c1-4-11-6-5-10-8-12(14-3)9(2)7-13(10)15-11/h7-8,11H,4-6H2,1-3H3
InChIKeyPQRINYNHXYLBBA-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.82
Rot. Bonds2

About 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene

2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene (PubChem CID 139973360) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene
PubChem CID139973360
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene
SMILESCCC1CCc2cc(OC)c(C)cc2S1
InChIInChI=1S/C13H18OS/c1-4-11-6-5-10-8-12(14-3)9(2)7-13(10)15-11/h7-8,11H,4-6H2,1-3H3
InChIKeyPQRINYNHXYLBBA-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-7-methyl-3,4-dihydro-2H-thiochromen-6-ol
CID 139973351
6-methoxy-7-methyl-2-propyl-3,4-dihydro-2H-chromene
CID 139973361
(2R)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130692007
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
6,7-dimethoxy-4H-thiochromene
CID 153240535
(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 42611556
(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 7055831
6,15-dimethoxy-13,17-dimethyl-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
CID 121337465
7,15,33,35-tetramethoxy-23,31,37,39-tetramethyl-3,4,11,12,19,20,27,28-octathiapentacyclo[28.2.2.26,9.214,17.222,25]tetraconta-1(33),6,8,14,16,22(36),23,25(35),30(34),31,37,39-dodecaene
CID 121337437
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene (CID 139973360) is 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene is CCC1CCc2cc(OC)c(C)cc2S1.
What is the InChIKey of 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene?
The InChIKey is PQRINYNHXYLBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-4-11-6-5-10-8-12(14-3)9(2)7-13(10)15-11/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene?
2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene has a molecular weight of 222.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-7-methyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 139973360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).