N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide

C8H11N2O2PS2 — CID 161149296

IUPACN'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide
SMILESCSc1ccc(NC=NP(O)(O)=S)cc1
InChIInChI=1S/C8H11N2O2PS2/c1-15-8-4-2-7(3-5-8)9-6-10-13(11,12)14/h2-6H,1H3,(H3,9,10,11,12,14)
InChIKeyUOLNYWYKPZXBLL-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.06
Rot. Bonds4

About N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide

N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide (PubChem CID 161149296) has the molecular formula C8H11N2O2PS2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide.

Molecular Properties

Compound NameN'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide
PubChem CID161149296
Molecular FormulaC8H11N2O2PS2
Molecular Weight262.30 g/mol
Exact Mass262.00
IUPAC NameN'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide
SMILESCSc1ccc(NC=NP(O)(O)=S)cc1
InChIInChI=1S/C8H11N2O2PS2/c1-15-8-4-2-7(3-5-8)9-6-10-13(11,12)14/h2-6H,1H3,(H3,9,10,11,12,14)
InChIKeyUOLNYWYKPZXBLL-UHFFFAOYSA-N
XLogP2.06
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-N-[5-(4-methylsulfanylphenyl)iminopenta-1,3-dienyl]aniline
CID 74935118
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
(4-methylsulfanylphenyl)carbamodithioic acid
CID 134086802
2-methyl-1-(4-methylsulfanylphenyl)guanidine
CID 62380340
(E)-3-(4-methylsulfanylanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858548
1-(4-methylsulfanylphenyl)-3-propylthiourea
CID 115573736
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
2-(4-methylsulfanylanilino)ethene-1,1,2-tricarbonitrile
CID 168610854
sodium;hydride;4-methylsulfanylphenol
CID 174371659
2-(4-methylsulfanylanilino)acetonitrile
CID 28573203
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
N'-(4-methylsulfanylphenyl)methanediamine
CID 115225438

Frequently Asked Questions

What is the IUPAC name of N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide?
The IUPAC name of N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide (CID 161149296) is N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide.
What is the SMILES notation for N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide?
The canonical SMILES for N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide is CSc1ccc(NC=NP(O)(O)=S)cc1.
What is the InChIKey of N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide?
The InChIKey is UOLNYWYKPZXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O2PS2/c1-15-8-4-2-7(3-5-8)9-6-10-13(11,12)14/h2-6H,1H3,(H3,9,10,11,12,14).
What are the key properties of N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide?
N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide has a molecular weight of 262.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dihydroxyphosphinothioyl-N-(4-methylsulfanylphenyl)methanimidamide is sourced from PubChem (CID 161149296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).