(2,4-dichlorophenyl)methylsulfanyl phosphite

C7H5Cl2O3PS-2 — CID 18922904

IUPAC(2,4-dichlorophenyl)methylsulfanyl phosphite
SMILES[O-]P([O-])OSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2O3PS/c8-6-2-1-5(7(9)3-6)4-14-12-13(10)11/h1-3H,4H2/q-2
InChIKeyZHEIZXINICWOAJ-UHFFFAOYSA-N
MW271.06 g/mol
LogP2.11
Rot. Bonds4

About (2,4-dichlorophenyl)methylsulfanyl phosphite

(2,4-dichlorophenyl)methylsulfanyl phosphite (PubChem CID 18922904) has the molecular formula C7H5Cl2O3PS-2 and a molecular weight of 271.06 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methylsulfanyl phosphite.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methylsulfanyl phosphite
PubChem CID18922904
Molecular FormulaC7H5Cl2O3PS-2
Molecular Weight271.06 g/mol
Exact Mass269.91
IUPAC Name(2,4-dichlorophenyl)methylsulfanyl phosphite
SMILES[O-]P([O-])OSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2O3PS/c8-6-2-1-5(7(9)3-6)4-14-12-13(10)11/h1-3H,4H2/q-2
InChIKeyZHEIZXINICWOAJ-UHFFFAOYSA-N
XLogP2.11
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 52.11
H-Bond Donors ≤ 50
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

2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene
CID 142470358
2,4-dichloro-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]hexylsulfanylmethyl]benzene
CID 5078531
[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate
CID 44887465
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethoxy]ethanamine
CID 82181081
(2,4-dichlorophenyl)methylphosphane
CID 134447961
2-aminoethyl (2,4-dichlorophenyl)methylsulfanylformate;hydrochloride
CID 162663453
1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66229738
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433
(2,4-dichlorophenyl)methylsulfanyl-(4-hydroxyphenyl)sulfanylmethanone
CID 177407153
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methylsulfanyl phosphite?
The IUPAC name of (2,4-dichlorophenyl)methylsulfanyl phosphite (CID 18922904) is (2,4-dichlorophenyl)methylsulfanyl phosphite.
What is the SMILES notation for (2,4-dichlorophenyl)methylsulfanyl phosphite?
The canonical SMILES for (2,4-dichlorophenyl)methylsulfanyl phosphite is [O-]P([O-])OSCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methylsulfanyl phosphite?
The InChIKey is ZHEIZXINICWOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2O3PS/c8-6-2-1-5(7(9)3-6)4-14-12-13(10)11/h1-3H,4H2/q-2.
What are the key properties of (2,4-dichlorophenyl)methylsulfanyl phosphite?
(2,4-dichlorophenyl)methylsulfanyl phosphite has a molecular weight of 271.06 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methylsulfanyl phosphite is sourced from PubChem (CID 18922904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).