morpholine;(phenyldisulfanyl)benzene

C16H19NOS2 — CID 87064423

IUPACmorpholine;(phenyldisulfanyl)benzene
SMILESC1COCCN1.c1ccc(SSc2ccccc2)cc1
InChIInChI=1S/C12H10S2.C4H9NO/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-6-4-2-5-1/h1-10H;5H,1-4H2
InChIKeyGJLGEQGFVJRQTC-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.09
Rot. Bonds3

About morpholine;(phenyldisulfanyl)benzene

morpholine;(phenyldisulfanyl)benzene (PubChem CID 87064423) has the molecular formula C16H19NOS2 and a molecular weight of 305.47 g/mol. Its IUPAC name is morpholine;(phenyldisulfanyl)benzene.

Molecular Properties

Compound Namemorpholine;(phenyldisulfanyl)benzene
PubChem CID87064423
Molecular FormulaC16H19NOS2
Molecular Weight305.47 g/mol
Exact Mass305.09
IUPAC Namemorpholine;(phenyldisulfanyl)benzene
SMILESC1COCCN1.c1ccc(SSc2ccccc2)cc1
InChIInChI=1S/C12H10S2.C4H9NO/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-6-4-2-5-1/h1-10H;5H,1-4H2
InChIKeyGJLGEQGFVJRQTC-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholine;(phenyldisulfanyl)benzene?
The IUPAC name of morpholine;(phenyldisulfanyl)benzene (CID 87064423) is morpholine;(phenyldisulfanyl)benzene.
What is the SMILES notation for morpholine;(phenyldisulfanyl)benzene?
The canonical SMILES for morpholine;(phenyldisulfanyl)benzene is C1COCCN1.c1ccc(SSc2ccccc2)cc1.
What is the InChIKey of morpholine;(phenyldisulfanyl)benzene?
The InChIKey is GJLGEQGFVJRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2.C4H9NO/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-6-4-2-5-1/h1-10H;5H,1-4H2.
What are the key properties of morpholine;(phenyldisulfanyl)benzene?
morpholine;(phenyldisulfanyl)benzene has a molecular weight of 305.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;(phenyldisulfanyl)benzene is sourced from PubChem (CID 87064423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).