(9-ethylfluoren-9-yl)methanethiol

C16H16S — CID 167224564

IUPAC(9-ethylfluoren-9-yl)methanethiol
SMILESCCC1(CS)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16S/c1-2-16(11-17)14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,17H,2,11H2,1H3
InChIKeyDIUICQAMBGBQIE-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.29
Rot. Bonds2

About (9-ethylfluoren-9-yl)methanethiol

(9-ethylfluoren-9-yl)methanethiol (PubChem CID 167224564) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is (9-ethylfluoren-9-yl)methanethiol.

Molecular Properties

Compound Name(9-ethylfluoren-9-yl)methanethiol
PubChem CID167224564
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name(9-ethylfluoren-9-yl)methanethiol
SMILESCCC1(CS)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16S/c1-2-16(11-17)14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,17H,2,11H2,1H3
InChIKeyDIUICQAMBGBQIE-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9-ethylfluoren-9-yl)methanethiol?
The IUPAC name of (9-ethylfluoren-9-yl)methanethiol (CID 167224564) is (9-ethylfluoren-9-yl)methanethiol.
What is the SMILES notation for (9-ethylfluoren-9-yl)methanethiol?
The canonical SMILES for (9-ethylfluoren-9-yl)methanethiol is CCC1(CS)c2ccccc2-c2ccccc21.
What is the InChIKey of (9-ethylfluoren-9-yl)methanethiol?
The InChIKey is DIUICQAMBGBQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-2-16(11-17)14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,17H,2,11H2,1H3.
What are the key properties of (9-ethylfluoren-9-yl)methanethiol?
(9-ethylfluoren-9-yl)methanethiol has a molecular weight of 240.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylfluoren-9-yl)methanethiol is sourced from PubChem (CID 167224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).