[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane

C16H16NPS2 — CID 70972619

IUPAC[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane
SMILESCSC(SC)=C1c2ccccc2N(P)c2ccccc21
InChIInChI=1S/C16H16NPS2/c1-19-16(20-2)15-11-7-3-5-9-13(11)17(18)14-10-6-4-8-12(14)15/h3-10H,18H2,1-2H3
InChIKeyVQFNJZYRQXSWFF-UHFFFAOYSA-N
MW317.42 g/mol
LogP5.37
Rot. Bonds2

About [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane

[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane (PubChem CID 70972619) has the molecular formula C16H16NPS2 and a molecular weight of 317.42 g/mol. Its IUPAC name is [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane.

Molecular Properties

Compound Name[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane
PubChem CID70972619
Molecular FormulaC16H16NPS2
Molecular Weight317.42 g/mol
Exact Mass317.05
IUPAC Name[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane
SMILESCSC(SC)=C1c2ccccc2N(P)c2ccccc21
InChIInChI=1S/C16H16NPS2/c1-19-16(20-2)15-11-7-3-5-9-13(11)17(18)14-10-6-4-8-12(14)15/h3-10H,18H2,1-2H3
InChIKeyVQFNJZYRQXSWFF-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane?
The IUPAC name of [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane (CID 70972619) is [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane.
What is the SMILES notation for [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane?
The canonical SMILES for [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane is CSC(SC)=C1c2ccccc2N(P)c2ccccc21.
What is the InChIKey of [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane?
The InChIKey is VQFNJZYRQXSWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NPS2/c1-19-16(20-2)15-11-7-3-5-9-13(11)17(18)14-10-6-4-8-12(14)15/h3-10H,18H2,1-2H3.
What are the key properties of [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane?
[9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane has a molecular weight of 317.42 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[bis(methylsulfanyl)methylidene]acridin-10-yl]phosphane is sourced from PubChem (CID 70972619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).