(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine

C8H10NO2PS — CID 138319392

IUPAC(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine
SMILESNCP1(=S)OCc2ccccc2O1
InChIInChI=1S/C8H10NO2PS/c9-6-12(13)10-5-7-3-1-2-4-8(7)11-12/h1-4H,5-6,9H2
InChIKeyOZQVMZGTIQMSPW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.82
Rot. Bonds1

About (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine

(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine (PubChem CID 138319392) has the molecular formula C8H10NO2PS and a molecular weight of 215.21 g/mol. Its IUPAC name is (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine.

Molecular Properties

Compound Name(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine
PubChem CID138319392
Molecular FormulaC8H10NO2PS
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC Name(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine
SMILESNCP1(=S)OCc2ccccc2O1
InChIInChI=1S/C8H10NO2PS/c9-6-12(13)10-5-7-3-1-2-4-8(7)11-12/h1-4H,5-6,9H2
InChIKeyOZQVMZGTIQMSPW-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine?
The IUPAC name of (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine (CID 138319392) is (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine.
What is the SMILES notation for (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine?
The canonical SMILES for (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine is NCP1(=S)OCc2ccccc2O1.
What is the InChIKey of (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine?
The InChIKey is OZQVMZGTIQMSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2PS/c9-6-12(13)10-5-7-3-1-2-4-8(7)11-12/h1-4H,5-6,9H2.
What are the key properties of (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine?
(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine has a molecular weight of 215.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine is sourced from PubChem (CID 138319392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).