8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol

C10H16O3S — CID 163489781

IUPAC8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol
SMILESCC1CC(O)CC2=C1S(=O)(=O)CCC2
InChIInChI=1S/C10H16O3S/c1-7-5-9(11)6-8-3-2-4-14(12,13)10(7)8/h7,9,11H,2-6H2,1H3
InChIKeyCLPLUKSEXUGPQD-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.24
Rot. Bonds

About 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol

8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol (PubChem CID 163489781) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol.

Molecular Properties

Compound Name8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol
PubChem CID163489781
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol
SMILESCC1CC(O)CC2=C1S(=O)(=O)CCC2
InChIInChI=1S/C10H16O3S/c1-7-5-9(11)6-8-3-2-4-14(12,13)10(7)8/h7,9,11H,2-6H2,1H3
InChIKeyCLPLUKSEXUGPQD-UHFFFAOYSA-N
XLogP1.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R,6R,7S)-3,6-dimethyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2,1lambda6-benzoxathiin-7-ol
CID 10353884
(3R,6R,7S)-6-butyl-3-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2,1lambda6-benzoxathiin-7-ol
CID 10378911
(3S,6S,7R)-6-methyl-1,1-dioxo-3-propyl-3,4,5,6,7,8-hexahydro-2,1lambda6-benzoxathiin-7-ol
CID 10945187
(3S,6R,7R)-6-methyl-1,1-dioxo-3-propyl-3,4,5,6,7,8-hexahydro-2,1lambda6-benzoxathiin-7-ol
CID 11118809
1-(3,5-Dimethylcyclohex-3-en-1-yl)-4-methylsulfonylbutan-1-ol
CID 103277386
1-(3,5-Dimethylcyclohex-3-en-1-yl)-4-ethylsulfonylbutan-1-ol
CID 103277387
2-(Cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
CID 116660262

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol?
The IUPAC name of 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol (CID 163489781) is 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol.
What is the SMILES notation for 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol?
The canonical SMILES for 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol is CC1CC(O)CC2=C1S(=O)(=O)CCC2.
What is the InChIKey of 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol?
The InChIKey is CLPLUKSEXUGPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-7-5-9(11)6-8-3-2-4-14(12,13)10(7)8/h7,9,11H,2-6H2,1H3.
What are the key properties of 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol?
8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol has a molecular weight of 216.30 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,1-dioxo-3,4,5,6,7,8-hexahydro-2H-thiochromen-6-ol is sourced from PubChem (CID 163489781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).