1-hydroxysulfanylanthracene

C14H10OS — CID 90092868

IUPAC1-hydroxysulfanylanthracene
SMILESOSc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H10OS/c15-16-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H
InChIKeyWYJZXOWIOZTXBK-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.56
Rot. Bonds1

About 1-hydroxysulfanylanthracene

1-hydroxysulfanylanthracene (PubChem CID 90092868) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxysulfanylanthracene.

Molecular Properties

Compound Name1-hydroxysulfanylanthracene
PubChem CID90092868
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name1-hydroxysulfanylanthracene
SMILESOSc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H10OS/c15-16-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H
InChIKeyWYJZXOWIOZTXBK-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanylanthracene?
The IUPAC name of 1-hydroxysulfanylanthracene (CID 90092868) is 1-hydroxysulfanylanthracene.
What is the SMILES notation for 1-hydroxysulfanylanthracene?
The canonical SMILES for 1-hydroxysulfanylanthracene is OSc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-hydroxysulfanylanthracene?
The InChIKey is WYJZXOWIOZTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c15-16-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H.
What are the key properties of 1-hydroxysulfanylanthracene?
1-hydroxysulfanylanthracene has a molecular weight of 226.30 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanylanthracene is sourced from PubChem (CID 90092868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).