9-(propylsulfanylmethylidene)thioxanthene

C17H16S2 — CID 71337889

IUPAC9-(propylsulfanylmethylidene)thioxanthene
SMILESCCCSC=C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H16S2/c1-2-11-18-12-15-13-7-3-5-9-16(13)19-17-10-6-4-8-14(15)17/h3-10,12H,2,11H2,1H3
InChIKeyNBDOMKXVGZMESP-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.68
Rot. Bonds3

About 9-(propylsulfanylmethylidene)thioxanthene

9-(propylsulfanylmethylidene)thioxanthene (PubChem CID 71337889) has the molecular formula C17H16S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 9-(propylsulfanylmethylidene)thioxanthene.

Molecular Properties

Compound Name9-(propylsulfanylmethylidene)thioxanthene
PubChem CID71337889
Molecular FormulaC17H16S2
Molecular Weight284.45 g/mol
Exact Mass284.07
IUPAC Name9-(propylsulfanylmethylidene)thioxanthene
SMILESCCCSC=C1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H16S2/c1-2-11-18-12-15-13-7-3-5-9-16(13)19-17-10-6-4-8-14(15)17/h3-10,12H,2,11H2,1H3
InChIKeyNBDOMKXVGZMESP-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(propylsulfanylmethylidene)thioxanthene?
The IUPAC name of 9-(propylsulfanylmethylidene)thioxanthene (CID 71337889) is 9-(propylsulfanylmethylidene)thioxanthene.
What is the SMILES notation for 9-(propylsulfanylmethylidene)thioxanthene?
The canonical SMILES for 9-(propylsulfanylmethylidene)thioxanthene is CCCSC=C1c2ccccc2Sc2ccccc21.
What is the InChIKey of 9-(propylsulfanylmethylidene)thioxanthene?
The InChIKey is NBDOMKXVGZMESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16S2/c1-2-11-18-12-15-13-7-3-5-9-16(13)19-17-10-6-4-8-14(15)17/h3-10,12H,2,11H2,1H3.
What are the key properties of 9-(propylsulfanylmethylidene)thioxanthene?
9-(propylsulfanylmethylidene)thioxanthene has a molecular weight of 284.45 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(propylsulfanylmethylidene)thioxanthene is sourced from PubChem (CID 71337889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).