3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol

C14H12O2S — CID 141069567

IUPAC3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol
SMILESCC1=Cc2cc3ccccc3cc2S(=O)C1O
InChIInChI=1S/C14H12O2S/c1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)17(16)14(9)15/h2-8,14-15H,1H3
InChIKeyRCAPLAVSTNWCIL-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.68
Rot. Bonds

About 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol

3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol (PubChem CID 141069567) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol.

Molecular Properties

Compound Name3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol
PubChem CID141069567
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol
SMILESCC1=Cc2cc3ccccc3cc2S(=O)C1O
InChIInChI=1S/C14H12O2S/c1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)17(16)14(9)15/h2-8,14-15H,1H3
InChIKeyRCAPLAVSTNWCIL-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-oxo-N-propan-2-yl-2H-benzo[g]thiochromen-2-amine
CID 141442347
2,3-di(propan-2-yl)-2H-benzo[g]thiochromene 1-oxide
CID 141094875
ethyl 1-oxo-2H-benzo[g]thiochromene-2-carboxylate
CID 164523302
2-phenyl-2H-benzo[g]thiochromene 1-oxide
CID 178076131
2,4-dichloro-2H-benzo[g]thiochromene 1-oxide
CID 141060514
3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
CID 139946435
lithium anthracene
CID 22662646
anthracene;ethane;methanesulfonic acid
CID 91545165
2-ethenyl-7-methyl-2H-benzo[g]thiochromene 1-oxide
CID 169090021
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
3-methyl-2H-anthracen-1-one
CID 141307258
ethane;pentacene-6,13-dione
CID 91293848

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol?
The IUPAC name of 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol (CID 141069567) is 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol.
What is the SMILES notation for 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol?
The canonical SMILES for 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol is CC1=Cc2cc3ccccc3cc2S(=O)C1O.
What is the InChIKey of 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol?
The InChIKey is RCAPLAVSTNWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)17(16)14(9)15/h2-8,14-15H,1H3.
What are the key properties of 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol?
3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol has a molecular weight of 244.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol is sourced from PubChem (CID 141069567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).