9-methylsulfinylanthracene

C15H12OS — CID 10847646

IUPAC9-methylsulfinylanthracene
SMILESCS(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12OS/c1-17(16)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyTZRRMGZVXZEKCT-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.73
Rot. Bonds1

About 9-methylsulfinylanthracene

9-methylsulfinylanthracene (PubChem CID 10847646) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 9-methylsulfinylanthracene.

Molecular Properties

Compound Name9-methylsulfinylanthracene
PubChem CID10847646
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name9-methylsulfinylanthracene
SMILESCS(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12OS/c1-17(16)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyTZRRMGZVXZEKCT-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3-tris(methylsulfinyl)benzene
CID 18707368
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
2-methyl-1-methylsulfinylbenzo[e][1]benzofuran
CID 86100625
CID 158474185
CID 158474185
9-[(Z)-2-methylsulfinyl-2-methylsulfonylethenyl]anthracene
CID 177460731
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
methyl 3-methylsulfinylnaphthalene-1-carboxylate
CID 22622393
(4-chloro-1-methylsulfinylnaphthalen-2-yl)boronic acid
CID 156806583
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
CID 13203482
CID 13203482

Frequently Asked Questions

What is the IUPAC name of 9-methylsulfinylanthracene?
The IUPAC name of 9-methylsulfinylanthracene (CID 10847646) is 9-methylsulfinylanthracene.
What is the SMILES notation for 9-methylsulfinylanthracene?
The canonical SMILES for 9-methylsulfinylanthracene is CS(=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-methylsulfinylanthracene?
The InChIKey is TZRRMGZVXZEKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-17(16)15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3.
What are the key properties of 9-methylsulfinylanthracene?
9-methylsulfinylanthracene has a molecular weight of 240.33 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfinylanthracene is sourced from PubChem (CID 10847646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).