[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate

C10H16NO5PS — CID 175273966

IUPAC[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate
SMILESCOC(=O)c1ccccc1O.COP(N)(=O)SC
InChIInChI=1S/C8H8O3.C2H8NO2PS/c1-11-8(10)6-4-2-3-5-7(6)9;1-5-6(3,4)7-2/h2-5,9H,1H3;1-2H3,(H2,3,4)
InChIKeyUIJNZTFRPVTAGI-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.24
Rot. Bonds3

About [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate

[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate (PubChem CID 175273966) has the molecular formula C10H16NO5PS and a molecular weight of 293.28 g/mol. Its IUPAC name is [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate
PubChem CID175273966
Molecular FormulaC10H16NO5PS
Molecular Weight293.28 g/mol
Exact Mass293.05
IUPAC Name[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate
SMILESCOC(=O)c1ccccc1O.COP(N)(=O)SC
InChIInChI=1S/C8H8O3.C2H8NO2PS/c1-11-8(10)6-4-2-3-5-7(6)9;1-5-6(3,4)7-2/h2-5,9H,1H3;1-2H3,(H2,3,4)
InChIKeyUIJNZTFRPVTAGI-UHFFFAOYSA-N
XLogP2.24
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 174888687
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sodium;hydride;methyl 2-hydroxybenzoate
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methyl 2-hydroxybenzoate;phenylhydrazine
CID 159763478
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-hydroxybenzoate;pyrimidine
CID 157250950
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
1-carbamimidoylguanidine;methyl 2-hydroxybenzoate
CID 176546663
1,3-dioxolan-2-one;methyl 2-hydroxybenzoate
CID 158443718
carbonic acid;methyl 2-hydroxybenzoate;phenyl hydrogen carbonate
CID 159882393
ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
CID 11186177
amino 2-hydroxybenzoate
CID 12598418

Frequently Asked Questions

What is the IUPAC name of [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate?
The IUPAC name of [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate (CID 175273966) is [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate.
What is the SMILES notation for [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate?
The canonical SMILES for [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate is COC(=O)c1ccccc1O.COP(N)(=O)SC.
What is the InChIKey of [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate?
The InChIKey is UIJNZTFRPVTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C2H8NO2PS/c1-11-8(10)6-4-2-3-5-7(6)9;1-5-6(3,4)7-2/h2-5,9H,1H3;1-2H3,(H2,3,4).
What are the key properties of [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate?
[amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate has a molecular weight of 293.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfanyl)phosphoryl]oxymethane;methyl 2-hydroxybenzoate is sourced from PubChem (CID 175273966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).