ethane;O-(9H-fluoren-9-ylmethyl) methanethioate

C17H18OS — CID 155721769

IUPACethane;O-(9H-fluoren-9-ylmethyl) methanethioate
SMILESCC.S=COCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H12OS.C2H6/c17-10-16-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h1-8,10,15H,9H2;1-2H3
InChIKeyZALAVBFUTVMNSY-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.80
Rot. Bonds3

About ethane;O-(9H-fluoren-9-ylmethyl) methanethioate

ethane;O-(9H-fluoren-9-ylmethyl) methanethioate (PubChem CID 155721769) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is ethane;O-(9H-fluoren-9-ylmethyl) methanethioate.

Molecular Properties

Compound Nameethane;O-(9H-fluoren-9-ylmethyl) methanethioate
PubChem CID155721769
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Nameethane;O-(9H-fluoren-9-ylmethyl) methanethioate
SMILESCC.S=COCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H12OS.C2H6/c17-10-16-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h1-8,10,15H,9H2;1-2H3
InChIKeyZALAVBFUTVMNSY-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
1-(9H-fluoren-9-ylmethoxy)ethanol
CID 143514998
lithium 9-ethyl-9H-fluorene
CID 23225742
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
9-[3-(2-methoxyethoxy)propoxymethyl]-9H-fluorene
CID 150685477
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
9-(formyloxymethyl)-9H-fluorene-2-sulfonic acid
CID 18680044
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799

Frequently Asked Questions

What is the IUPAC name of ethane;O-(9H-fluoren-9-ylmethyl) methanethioate?
The IUPAC name of ethane;O-(9H-fluoren-9-ylmethyl) methanethioate (CID 155721769) is ethane;O-(9H-fluoren-9-ylmethyl) methanethioate.
What is the SMILES notation for ethane;O-(9H-fluoren-9-ylmethyl) methanethioate?
The canonical SMILES for ethane;O-(9H-fluoren-9-ylmethyl) methanethioate is CC.S=COCC1c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;O-(9H-fluoren-9-ylmethyl) methanethioate?
The InChIKey is ZALAVBFUTVMNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS.C2H6/c17-10-16-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h1-8,10,15H,9H2;1-2H3.
What are the key properties of ethane;O-(9H-fluoren-9-ylmethyl) methanethioate?
ethane;O-(9H-fluoren-9-ylmethyl) methanethioate has a molecular weight of 270.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-(9H-fluoren-9-ylmethyl) methanethioate is sourced from PubChem (CID 155721769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).