2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol

C17H19NS — CID 137395556

IUPAC2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol
SMILESCC1(C)c2ccccc2Nc2ccc(CCS)cc21
InChIInChI=1S/C17H19NS/c1-17(2)13-5-3-4-6-15(13)18-16-8-7-12(9-10-19)11-14(16)17/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyUNJAZAIPLUUKGD-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.54
Rot. Bonds2

About 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol

2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol (PubChem CID 137395556) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol
PubChem CID137395556
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol
SMILESCC1(C)c2ccccc2Nc2ccc(CCS)cc21
InChIInChI=1S/C17H19NS/c1-17(2)13-5-3-4-6-15(13)18-16-8-7-12(9-10-19)11-14(16)17/h3-8,11,18-19H,9-10H2,1-2H3
InChIKeyUNJAZAIPLUUKGD-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol?
The IUPAC name of 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol (CID 137395556) is 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol.
What is the SMILES notation for 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol?
The canonical SMILES for 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol is CC1(C)c2ccccc2Nc2ccc(CCS)cc21.
What is the InChIKey of 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol?
The InChIKey is UNJAZAIPLUUKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-17(2)13-5-3-4-6-15(13)18-16-8-7-12(9-10-19)11-14(16)17/h3-8,11,18-19H,9-10H2,1-2H3.
What are the key properties of 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol?
2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol has a molecular weight of 269.41 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-10H-acridin-2-yl)ethanethiol is sourced from PubChem (CID 137395556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).