6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol

C10H12O3S — CID 167516990

IUPAC6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESCc1ccc2c(c1)C(O)CCS2(=O)=O
InChIInChI=1S/C10H12O3S/c1-7-2-3-10-8(6-7)9(11)4-5-14(10,12)13/h2-3,6,9,11H,4-5H2,1H3
InChIKeyFZZAMSVUDDPMLD-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.21
Rot. Bonds

About 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol

6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 167516990) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID167516990
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
SMILESCc1ccc2c(c1)C(O)CCS2(=O)=O
InChIInChI=1S/C10H12O3S/c1-7-2-3-10-8(6-7)9(11)4-5-14(10,12)13/h2-3,6,9,11H,4-5H2,1H3
InChIKeyFZZAMSVUDDPMLD-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropyl-6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 53307808
4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbaldehyde
CID 105483830
1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117201778
4,6-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 101432308
N-methyl-1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117201786
3-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 117201791
N-cyclopropyl-2,3,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 79413629
4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide
CID 70336746
(4S)-4-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 840171
6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 84704436
(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 28947359
(4R,5R)-5-(4-fluorophenyl)-7-methyl-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1λ6-benzothiepin-4-ol
CID 11712315

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol (CID 167516990) is 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol is Cc1ccc2c(c1)C(O)CCS2(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is FZZAMSVUDDPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-7-2-3-10-8(6-7)9(11)4-5-14(10,12)13/h2-3,6,9,11H,4-5H2,1H3.
What are the key properties of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol?
6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 212.27 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 167516990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).