S-ethyl 2-(9H-fluoren-1-yl)ethanethioate

C17H16OS — CID 172829129

IUPACS-ethyl 2-(9H-fluoren-1-yl)ethanethioate
SMILESCCSC(=O)Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H16OS/c1-2-19-17(18)11-13-7-5-9-15-14-8-4-3-6-12(14)10-16(13)15/h3-9H,2,10-11H2,1H3
InChIKeyVGWSUXDHYOXMCM-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.08
Rot. Bonds3

About S-ethyl 2-(9H-fluoren-1-yl)ethanethioate

S-ethyl 2-(9H-fluoren-1-yl)ethanethioate (PubChem CID 172829129) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is S-ethyl 2-(9H-fluoren-1-yl)ethanethioate.

Molecular Properties

Compound NameS-ethyl 2-(9H-fluoren-1-yl)ethanethioate
PubChem CID172829129
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC NameS-ethyl 2-(9H-fluoren-1-yl)ethanethioate
SMILESCCSC(=O)Cc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H16OS/c1-2-19-17(18)11-13-7-5-9-15-14-8-4-3-6-12(14)10-16(13)15/h3-9H,2,10-11H2,1H3
InChIKeyVGWSUXDHYOXMCM-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-1-yl)acetamide
CID 22939017
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene
CID 150677961
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
1-(2-methylpropyl)-9H-fluorene
CID 87557268
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434

Frequently Asked Questions

What is the IUPAC name of S-ethyl 2-(9H-fluoren-1-yl)ethanethioate?
The IUPAC name of S-ethyl 2-(9H-fluoren-1-yl)ethanethioate (CID 172829129) is S-ethyl 2-(9H-fluoren-1-yl)ethanethioate.
What is the SMILES notation for S-ethyl 2-(9H-fluoren-1-yl)ethanethioate?
The canonical SMILES for S-ethyl 2-(9H-fluoren-1-yl)ethanethioate is CCSC(=O)Cc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of S-ethyl 2-(9H-fluoren-1-yl)ethanethioate?
The InChIKey is VGWSUXDHYOXMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-2-19-17(18)11-13-7-5-9-15-14-8-4-3-6-12(14)10-16(13)15/h3-9H,2,10-11H2,1H3.
What are the key properties of S-ethyl 2-(9H-fluoren-1-yl)ethanethioate?
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate has a molecular weight of 268.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl 2-(9H-fluoren-1-yl)ethanethioate is sourced from PubChem (CID 172829129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).