ethane;2-methyl-10,10-dioxothioxanthen-9-one

C16H16O3S — CID 145125707

IUPACethane;2-methyl-10,10-dioxothioxanthen-9-one
SMILESCC.Cc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
InChIInChI=1S/C14H10O3S.C2H6/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)18(13,16)17;1-2/h2-8H,1H3;1-2H3
InChIKeyRNVZPMRSAOUURG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.40
Rot. Bonds

About ethane;2-methyl-10,10-dioxothioxanthen-9-one

ethane;2-methyl-10,10-dioxothioxanthen-9-one (PubChem CID 145125707) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethane;2-methyl-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Nameethane;2-methyl-10,10-dioxothioxanthen-9-one
PubChem CID145125707
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Nameethane;2-methyl-10,10-dioxothioxanthen-9-one
SMILESCC.Cc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
InChIInChI=1S/C14H10O3S.C2H6/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)18(13,16)17;1-2/h2-8H,1H3;1-2H3
InChIKeyRNVZPMRSAOUURG-UHFFFAOYSA-N
XLogP3.40
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10,10-dioxothioxanthen-9-one;ethane
CID 142164564
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
5-ethyl-3-methyl-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one
CID 121432219
3-amino-6-methyl-10,10-dioxothioxanthen-9-one
CID 10084677
1-bromo-6-methyl-10,10-dioxothioxanthen-9-one
CID 135133751
1,3-dimethyldibenzothiophene 5,5-dioxide
CID 58420751
3-methyl-10-sulfanylideneanthracen-9-one
CID 139845298
[2-(4-methylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 4854474
4-ethyl-10,10-dioxothioxanthen-9-one
CID 10564103
10,10-dioxo-2-[12-(9,10,10-trioxothioxanthen-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-2-yl]thioxanthen-9-one
CID 155081430
10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
CID 59573421
N-(6-methyl-9,10,10-trioxothioxanthen-3-yl)acetamide
CID 10470959

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-10,10-dioxothioxanthen-9-one?
The IUPAC name of ethane;2-methyl-10,10-dioxothioxanthen-9-one (CID 145125707) is ethane;2-methyl-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for ethane;2-methyl-10,10-dioxothioxanthen-9-one?
The canonical SMILES for ethane;2-methyl-10,10-dioxothioxanthen-9-one is CC.Cc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O.
What is the InChIKey of ethane;2-methyl-10,10-dioxothioxanthen-9-one?
The InChIKey is RNVZPMRSAOUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S.C2H6/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)18(13,16)17;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-10,10-dioxothioxanthen-9-one?
ethane;2-methyl-10,10-dioxothioxanthen-9-one has a molecular weight of 288.37 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 145125707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).