N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine

C8H10NO2PS — CID 24834923

IUPACN-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
SMILESCNP1(=S)OCc2ccccc2O1
InChIInChI=1S/C8H10NO2PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3,(H,9,13)
InChIKeyADQHQMMZKBOJMZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.04
Rot. Bonds1

About N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine

N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine (PubChem CID 24834923) has the molecular formula C8H10NO2PS and a molecular weight of 215.21 g/mol. Its IUPAC name is N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.

Molecular Properties

Compound NameN-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
PubChem CID24834923
Molecular FormulaC8H10NO2PS
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC NameN-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
SMILESCNP1(=S)OCc2ccccc2O1
InChIInChI=1S/C8H10NO2PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3,(H,9,13)
InChIKeyADQHQMMZKBOJMZ-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)methanamine
CID 138319392
(2S)-2-chloro-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
CID 124526976
(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxidanium
CID 163471516
(2R)-2-chloro-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
CID 124526977
2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
CID 70933940
N,N-diethyl-3-sulfanylidene-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-amine
CID 6612189
(2S)-2-octyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
CID 11129748
4-fluoren-9-ylidene-3,5-dioxa-4λ5-phosphatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 23417235
[methyl-[N'-(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)carbamimidoyl]amino] acetate
CID 173166009
6H-benzo[c]chromene;hydrobromide
CID 70547533
6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
CID 6914045
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
CID 163915272

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
The IUPAC name of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine (CID 24834923) is N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.
What is the SMILES notation for N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
The canonical SMILES for N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine is CNP1(=S)OCc2ccccc2O1.
What is the InChIKey of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
The InChIKey is ADQHQMMZKBOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3,(H,9,13).
What are the key properties of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine has a molecular weight of 215.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine is sourced from PubChem (CID 24834923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).