[(4-methylphenyl)sulfinylamino]phosphonous acid

C7H10NO3PS — CID 167063351

IUPAC[(4-methylphenyl)sulfinylamino]phosphonous acid
SMILESCc1ccc(S(=O)NP(O)O)cc1
InChIInChI=1S/C7H10NO3PS/c1-6-2-4-7(5-3-6)13(11)8-12(9)10/h2-5,8-10H,1H3
InChIKeyNGZBTUYGHQDEOI-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.82
Rot. Bonds3

About [(4-methylphenyl)sulfinylamino]phosphonous acid

[(4-methylphenyl)sulfinylamino]phosphonous acid (PubChem CID 167063351) has the molecular formula C7H10NO3PS and a molecular weight of 219.20 g/mol. Its IUPAC name is [(4-methylphenyl)sulfinylamino]phosphonous acid.

Molecular Properties

Compound Name[(4-methylphenyl)sulfinylamino]phosphonous acid
PubChem CID167063351
Molecular FormulaC7H10NO3PS
Molecular Weight219.20 g/mol
Exact Mass219.01
IUPAC Name[(4-methylphenyl)sulfinylamino]phosphonous acid
SMILESCc1ccc(S(=O)NP(O)O)cc1
InChIInChI=1S/C7H10NO3PS/c1-6-2-4-7(5-3-6)13(11)8-12(9)10/h2-5,8-10H,1H3
InChIKeyNGZBTUYGHQDEOI-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(1-phenylethenyl)benzenesulfinamide
CID 134881500
N-(4-chlorophenyl)-4-methylbenzenesulfinamide
CID 581510
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
2-methoxy-N-(4-methylphenyl)sulfinylacetamide
CID 86036730
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]benzenesulfinamide
CID 102397854
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
1-methyl-4-(sulfinoamino)benzene
CID 19072501
(4R)-2-methyl-4-[(R)-(4-methylphenyl)sulfinyl]pentan-3-one
CID 10060133
platinum;1,4-xylene
CID 173034643
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)sulfinylamino]phosphonous acid?
The IUPAC name of [(4-methylphenyl)sulfinylamino]phosphonous acid (CID 167063351) is [(4-methylphenyl)sulfinylamino]phosphonous acid.
What is the SMILES notation for [(4-methylphenyl)sulfinylamino]phosphonous acid?
The canonical SMILES for [(4-methylphenyl)sulfinylamino]phosphonous acid is Cc1ccc(S(=O)NP(O)O)cc1.
What is the InChIKey of [(4-methylphenyl)sulfinylamino]phosphonous acid?
The InChIKey is NGZBTUYGHQDEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3PS/c1-6-2-4-7(5-3-6)13(11)8-12(9)10/h2-5,8-10H,1H3.
What are the key properties of [(4-methylphenyl)sulfinylamino]phosphonous acid?
[(4-methylphenyl)sulfinylamino]phosphonous acid has a molecular weight of 219.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)sulfinylamino]phosphonous acid is sourced from PubChem (CID 167063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).