anthracene;ethane;methanesulfonic acid

C19H26O3S — CID 91545165

IUPACanthracene;ethane;methanesulfonic acid
SMILESCC.CC.CS(=O)(=O)O.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.2C2H6.CH4O3S/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2;1-5(2,3)4/h1-10H;2*1-2H3;1H3,(H,2,3,4)
InChIKeyKUKMKWBPYBZEKQ-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.55
Rot. Bonds

About anthracene;ethane;methanesulfonic acid

anthracene;ethane;methanesulfonic acid (PubChem CID 91545165) has the molecular formula C19H26O3S and a molecular weight of 334.48 g/mol. Its IUPAC name is anthracene;ethane;methanesulfonic acid.

Molecular Properties

Compound Nameanthracene;ethane;methanesulfonic acid
PubChem CID91545165
Molecular FormulaC19H26O3S
Molecular Weight334.48 g/mol
Exact Mass334.16
IUPAC Nameanthracene;ethane;methanesulfonic acid
SMILESCC.CC.CS(=O)(=O)O.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.2C2H6.CH4O3S/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2;1-5(2,3)4/h1-10H;2*1-2H3;1H3,(H,2,3,4)
InChIKeyKUKMKWBPYBZEKQ-UHFFFAOYSA-N
XLogP5.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 91220007
sodium;hydride;methanesulfonic acid;naphthalene
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methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
anthracene;ethane;naphthalene
CID 159079166
ethane;pentacene
CID 91470616
lithium anthracene
CID 22662646
naphthalene;sulfuric acid
CID 69493753
methanesulfonic acid;naphthalene;2,3,4-trimethylpentane
CID 159368351
ethane;methanesulfonate;naphthalene
CID 91264574
CID 87246277
CID 87246277
tetracene-2-sulfonic acid
CID 21483873
ethane;pentacene-6,13-dione
CID 91293848

Frequently Asked Questions

What is the IUPAC name of anthracene;ethane;methanesulfonic acid?
The IUPAC name of anthracene;ethane;methanesulfonic acid (CID 91545165) is anthracene;ethane;methanesulfonic acid.
What is the SMILES notation for anthracene;ethane;methanesulfonic acid?
The canonical SMILES for anthracene;ethane;methanesulfonic acid is CC.CC.CS(=O)(=O)O.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;ethane;methanesulfonic acid?
The InChIKey is KUKMKWBPYBZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.2C2H6.CH4O3S/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-2;1-5(2,3)4/h1-10H;2*1-2H3;1H3,(H,2,3,4).
What are the key properties of anthracene;ethane;methanesulfonic acid?
anthracene;ethane;methanesulfonic acid has a molecular weight of 334.48 g/mol, XLogP of 5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ethane;methanesulfonic acid is sourced from PubChem (CID 91545165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).