anthracene;4-sulfanylmorpholine

C18H19NOS — CID 157389683

IUPACanthracene;4-sulfanylmorpholine
SMILESSN1CCOCC1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C4H9NOS/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-1-3-6-4-2-5/h1-10H;7H,1-4H2
InChIKeyBLVWDWJPHPCREH-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.16
Rot. Bonds

About anthracene;4-sulfanylmorpholine

anthracene;4-sulfanylmorpholine (PubChem CID 157389683) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is anthracene;4-sulfanylmorpholine.

Molecular Properties

Compound Nameanthracene;4-sulfanylmorpholine
PubChem CID157389683
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Nameanthracene;4-sulfanylmorpholine
SMILESSN1CCOCC1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C4H9NOS/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-1-3-6-4-2-5/h1-10H;7H,1-4H2
InChIKeyBLVWDWJPHPCREH-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene;4-sulfanylmorpholine?
The IUPAC name of anthracene;4-sulfanylmorpholine (CID 157389683) is anthracene;4-sulfanylmorpholine.
What is the SMILES notation for anthracene;4-sulfanylmorpholine?
The canonical SMILES for anthracene;4-sulfanylmorpholine is SN1CCOCC1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;4-sulfanylmorpholine?
The InChIKey is BLVWDWJPHPCREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C4H9NOS/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-1-3-6-4-2-5/h1-10H;7H,1-4H2.
What are the key properties of anthracene;4-sulfanylmorpholine?
anthracene;4-sulfanylmorpholine has a molecular weight of 297.42 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;4-sulfanylmorpholine is sourced from PubChem (CID 157389683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).