[4-(selenocyanatomethyl)phenyl]methyl selenocyanate

C10H8N2Se2 — CID 5708

IUPAC[4-(selenocyanatomethyl)phenyl]methyl selenocyanate
SMILESN#C[Se]Cc1ccc(C[Se]C#N)cc1
InChIInChI=1S/C10H8N2Se2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2
InChIKeyQFTBWTJGZHUOAW-UHFFFAOYSA-N
MW314.11 g/mol
LogP1.06
Rot. Bonds4

About [4-(selenocyanatomethyl)phenyl]methyl selenocyanate

[4-(selenocyanatomethyl)phenyl]methyl selenocyanate (PubChem CID 5708) has the molecular formula C10H8N2Se2 and a molecular weight of 314.11 g/mol. Its IUPAC name is [4-(selenocyanatomethyl)phenyl]methyl selenocyanate.

Molecular Properties

Compound Name[4-(selenocyanatomethyl)phenyl]methyl selenocyanate
PubChem CID5708
Molecular FormulaC10H8N2Se2
Molecular Weight314.11 g/mol
Exact Mass315.90
IUPAC Name[4-(selenocyanatomethyl)phenyl]methyl selenocyanate
SMILESN#C[Se]Cc1ccc(C[Se]C#N)cc1
InChIInChI=1S/C10H8N2Se2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2
InChIKeyQFTBWTJGZHUOAW-UHFFFAOYSA-N
XLogP1.06
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(selenocyanatomethyl)phenyl]methyl selenocyanate?
The IUPAC name of [4-(selenocyanatomethyl)phenyl]methyl selenocyanate (CID 5708) is [4-(selenocyanatomethyl)phenyl]methyl selenocyanate.
What is the SMILES notation for [4-(selenocyanatomethyl)phenyl]methyl selenocyanate?
The canonical SMILES for [4-(selenocyanatomethyl)phenyl]methyl selenocyanate is N#C[Se]Cc1ccc(C[Se]C#N)cc1.
What is the InChIKey of [4-(selenocyanatomethyl)phenyl]methyl selenocyanate?
The InChIKey is QFTBWTJGZHUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2Se2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2.
What are the key properties of [4-(selenocyanatomethyl)phenyl]methyl selenocyanate?
[4-(selenocyanatomethyl)phenyl]methyl selenocyanate has a molecular weight of 314.11 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(selenocyanatomethyl)phenyl]methyl selenocyanate is sourced from PubChem (CID 5708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).