methylsulfanyl phenyl hydrogen phosphite

C7H9O3PS — CID 175099575

IUPACmethylsulfanyl phenyl hydrogen phosphite
SMILESCSOP(O)Oc1ccccc1
InChIInChI=1S/C7H9O3PS/c1-12-10-11(8)9-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyNTGJABNHHRFJHO-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.58
Rot. Bonds4

About methylsulfanyl phenyl hydrogen phosphite

methylsulfanyl phenyl hydrogen phosphite (PubChem CID 175099575) has the molecular formula C7H9O3PS and a molecular weight of 204.19 g/mol. Its IUPAC name is methylsulfanyl phenyl hydrogen phosphite.

Molecular Properties

Compound Namemethylsulfanyl phenyl hydrogen phosphite
PubChem CID175099575
Molecular FormulaC7H9O3PS
Molecular Weight204.19 g/mol
Exact Mass204.00
IUPAC Namemethylsulfanyl phenyl hydrogen phosphite
SMILESCSOP(O)Oc1ccccc1
InChIInChI=1S/C7H9O3PS/c1-12-10-11(8)9-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyNTGJABNHHRFJHO-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphite;ethanol
CID 159674253
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
calcium;hydride;phenyl dihydrogen phosphite
CID 173093871
strontium;hydride;phenyl dihydrogen phosphite
CID 173442477
ethane-1,2-diol;phenyl dihydrogen phosphite
CID 118162360
diphenyl hydrogen phosphite;oxo(diphenoxy)phosphanium
CID 87382332
2-[hydroxy(phenoxy)phosphanyl]oxyacetic acid
CID 67659805
phenoxy(phenyl)phosphinous acid
CID 21107296
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
sodium diphenyl phosphite
CID 23691846
formyl(phenoxy)phosphinous acid
CID 19387428

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl phenyl hydrogen phosphite?
The IUPAC name of methylsulfanyl phenyl hydrogen phosphite (CID 175099575) is methylsulfanyl phenyl hydrogen phosphite.
What is the SMILES notation for methylsulfanyl phenyl hydrogen phosphite?
The canonical SMILES for methylsulfanyl phenyl hydrogen phosphite is CSOP(O)Oc1ccccc1.
What is the InChIKey of methylsulfanyl phenyl hydrogen phosphite?
The InChIKey is NTGJABNHHRFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3PS/c1-12-10-11(8)9-7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of methylsulfanyl phenyl hydrogen phosphite?
methylsulfanyl phenyl hydrogen phosphite has a molecular weight of 204.19 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl phenyl hydrogen phosphite is sourced from PubChem (CID 175099575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).