bis(2,5-dimethylphenoxy)-disulfidophosphanium

C16H18O2PS2- — CID 101310913

IUPACbis(2,5-dimethylphenoxy)-disulfidophosphanium
SMILESCc1ccc(C)c(O[P+]([S-])([S-])Oc2cc(C)ccc2C)c1
InChIInChI=1S/C16H19O2PS2/c1-11-5-7-13(3)15(9-11)17-19(20,21)18-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H,20,21)/p-1
InChIKeyDSVPXACLWJECFL-UHFFFAOYSA-M
MW337.43 g/mol
LogP5.15
Rot. Bonds4

About bis(2,5-dimethylphenoxy)-disulfidophosphanium

bis(2,5-dimethylphenoxy)-disulfidophosphanium (PubChem CID 101310913) has the molecular formula C16H18O2PS2- and a molecular weight of 337.43 g/mol. Its IUPAC name is bis(2,5-dimethylphenoxy)-disulfidophosphanium.

Molecular Properties

Compound Namebis(2,5-dimethylphenoxy)-disulfidophosphanium
PubChem CID101310913
Molecular FormulaC16H18O2PS2-
Molecular Weight337.43 g/mol
Exact Mass337.05
IUPAC Namebis(2,5-dimethylphenoxy)-disulfidophosphanium
SMILESCc1ccc(C)c(O[P+]([S-])([S-])Oc2cc(C)ccc2C)c1
InChIInChI=1S/C16H19O2PS2/c1-11-5-7-13(3)15(9-11)17-19(20,21)18-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H,20,21)/p-1
InChIKeyDSVPXACLWJECFL-UHFFFAOYSA-M
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze bis(2,5-dimethylphenoxy)-disulfidophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
1-(2,5-dimethylphenoxy)propan-1-amine
CID 70392108
2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene
CID 69386639
(2,5-dimethylphenoxy)methanamine
CID 89376053
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
CID 71382789
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
1-(2,5-dimethylphenoxy)-3-methylbutan-2-amine
CID 79023730
3-(2,5-dimethylphenoxy)-2-methylpropanenitrile
CID 43174872
4-(2,5-dimethylphenoxy)-3-methylpentanoic acid
CID 146594290
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
1,4-dimethyl-2-pentoxybenzene
CID 59184214

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylphenoxy)-disulfidophosphanium?
The IUPAC name of bis(2,5-dimethylphenoxy)-disulfidophosphanium (CID 101310913) is bis(2,5-dimethylphenoxy)-disulfidophosphanium.
What is the SMILES notation for bis(2,5-dimethylphenoxy)-disulfidophosphanium?
The canonical SMILES for bis(2,5-dimethylphenoxy)-disulfidophosphanium is Cc1ccc(C)c(O[P+]([S-])([S-])Oc2cc(C)ccc2C)c1.
What is the InChIKey of bis(2,5-dimethylphenoxy)-disulfidophosphanium?
The InChIKey is DSVPXACLWJECFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19O2PS2/c1-11-5-7-13(3)15(9-11)17-19(20,21)18-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H,20,21)/p-1.
What are the key properties of bis(2,5-dimethylphenoxy)-disulfidophosphanium?
bis(2,5-dimethylphenoxy)-disulfidophosphanium has a molecular weight of 337.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylphenoxy)-disulfidophosphanium is sourced from PubChem (CID 101310913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).