1-(10-phosphanylacridin-9-ylidene)ethanethiol

C15H14NPS — CID 89151752

IUPAC1-(10-phosphanylacridin-9-ylidene)ethanethiol
SMILESCC(S)=C1c2ccccc2N(P)c2ccccc21
InChIInChI=1S/C15H14NPS/c1-10(18)15-11-6-2-4-8-13(11)16(17)14-9-5-3-7-12(14)15/h2-9,18H,17H2,1H3
InChIKeyKKEFUBJUQPAJQH-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.64
Rot. Bonds

About 1-(10-phosphanylacridin-9-ylidene)ethanethiol

1-(10-phosphanylacridin-9-ylidene)ethanethiol (PubChem CID 89151752) has the molecular formula C15H14NPS and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(10-phosphanylacridin-9-ylidene)ethanethiol.

Molecular Properties

Compound Name1-(10-phosphanylacridin-9-ylidene)ethanethiol
PubChem CID89151752
Molecular FormulaC15H14NPS
Molecular Weight271.33 g/mol
Exact Mass271.06
IUPAC Name1-(10-phosphanylacridin-9-ylidene)ethanethiol
SMILESCC(S)=C1c2ccccc2N(P)c2ccccc21
InChIInChI=1S/C15H14NPS/c1-10(18)15-11-6-2-4-8-13(11)16(17)14-9-5-3-7-12(14)15/h2-9,18H,17H2,1H3
InChIKeyKKEFUBJUQPAJQH-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(10-phosphanylacridin-9-ylidene)ethanethiol?
The IUPAC name of 1-(10-phosphanylacridin-9-ylidene)ethanethiol (CID 89151752) is 1-(10-phosphanylacridin-9-ylidene)ethanethiol.
What is the SMILES notation for 1-(10-phosphanylacridin-9-ylidene)ethanethiol?
The canonical SMILES for 1-(10-phosphanylacridin-9-ylidene)ethanethiol is CC(S)=C1c2ccccc2N(P)c2ccccc21.
What is the InChIKey of 1-(10-phosphanylacridin-9-ylidene)ethanethiol?
The InChIKey is KKEFUBJUQPAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NPS/c1-10(18)15-11-6-2-4-8-13(11)16(17)14-9-5-3-7-12(14)15/h2-9,18H,17H2,1H3.
What are the key properties of 1-(10-phosphanylacridin-9-ylidene)ethanethiol?
1-(10-phosphanylacridin-9-ylidene)ethanethiol has a molecular weight of 271.33 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phosphanylacridin-9-ylidene)ethanethiol is sourced from PubChem (CID 89151752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).