anthracene-9,10-dione;methanesulfonyl chloride

C15H11ClO4S — CID 174964861

IUPACanthracene-9,10-dione;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.CH3ClO2S/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-5(2,3)4/h1-8H;1H3
InChIKeyXSADTWSMJGSOSY-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.65
Rot. Bonds

About anthracene-9,10-dione;methanesulfonyl chloride

anthracene-9,10-dione;methanesulfonyl chloride (PubChem CID 174964861) has the molecular formula C15H11ClO4S and a molecular weight of 322.77 g/mol. Its IUPAC name is anthracene-9,10-dione;methanesulfonyl chloride.

Molecular Properties

Compound Nameanthracene-9,10-dione;methanesulfonyl chloride
PubChem CID174964861
Molecular FormulaC15H11ClO4S
Molecular Weight322.77 g/mol
Exact Mass322.01
IUPAC Nameanthracene-9,10-dione;methanesulfonyl chloride
SMILESCS(=O)(=O)Cl.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.CH3ClO2S/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-5(2,3)4/h1-8H;1H3
InChIKeyXSADTWSMJGSOSY-UHFFFAOYSA-N
XLogP2.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;propane
CID 162068050
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;methylsulfinylmethane
CID 158383413
CID 158261979
CID 158261979
sodium;fluoren-9-one;hydride
CID 174594472

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;methanesulfonyl chloride?
The IUPAC name of anthracene-9,10-dione;methanesulfonyl chloride (CID 174964861) is anthracene-9,10-dione;methanesulfonyl chloride.
What is the SMILES notation for anthracene-9,10-dione;methanesulfonyl chloride?
The canonical SMILES for anthracene-9,10-dione;methanesulfonyl chloride is CS(=O)(=O)Cl.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;methanesulfonyl chloride?
The InChIKey is XSADTWSMJGSOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.CH3ClO2S/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-5(2,3)4/h1-8H;1H3.
What are the key properties of anthracene-9,10-dione;methanesulfonyl chloride?
anthracene-9,10-dione;methanesulfonyl chloride has a molecular weight of 322.77 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;methanesulfonyl chloride is sourced from PubChem (CID 174964861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).