dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate

C8H21O4PS — CID 146177362

IUPACdimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate
SMILESCOP(=O)(OC)OCCCS(C)(C)C
InChIInChI=1S/C8H21O4PS/c1-10-13(9,11-2)12-7-6-8-14(3,4)5/h6-8H2,1-5H3
InChIKeyCETOESVRZSCDBB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.49
Rot. Bonds7

About dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate

dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate (PubChem CID 146177362) has the molecular formula C8H21O4PS and a molecular weight of 244.29 g/mol. Its IUPAC name is dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate.

Molecular Properties

Compound Namedimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate
PubChem CID146177362
Molecular FormulaC8H21O4PS
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Namedimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate
SMILESCOP(=O)(OC)OCCCS(C)(C)C
InChIInChI=1S/C8H21O4PS/c1-10-13(9,11-2)12-7-6-8-14(3,4)5/h6-8H2,1-5H3
InChIKeyCETOESVRZSCDBB-UHFFFAOYSA-N
XLogP2.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate 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

3-bromopropyl dimethyl phosphate
CID 156628564
dimethyl 3-sulfanylpropyl phosphate
CID 88756184
3-formamidopropyl dimethyl phosphate
CID 143134833
prop-2-ynyl 6-dimethoxyphosphoryloxyhexane-1-sulfonate
CID 89235451
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
bis[3-hydroxypropoxy(methoxy)phosphoryl] 3-hydroxypropyl phosphate
CID 20588951
2-[methoxy-[16-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxyhexadecoxy]phosphoryl]oxyethyl-trimethylazanium
CID 121392301
2-cyanoethyl dimethyl phosphate
CID 20665266
prop-2-ynyl 2-dimethoxyphosphoryloxyethanesulfonate
CID 89235407
butyl hexadecyl methyl phosphate;trimethylazanium
CID 145097672
butyl 4-hydroxybutyl methyl phosphate
CID 71322599
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate?
The IUPAC name of dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate (CID 146177362) is dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate.
What is the SMILES notation for dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate?
The canonical SMILES for dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate is COP(=O)(OC)OCCCS(C)(C)C.
What is the InChIKey of dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate?
The InChIKey is CETOESVRZSCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21O4PS/c1-10-13(9,11-2)12-7-6-8-14(3,4)5/h6-8H2,1-5H3.
What are the key properties of dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate?
dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate has a molecular weight of 244.29 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(trimethyl-λ4-sulfanyl)propyl phosphate is sourced from PubChem (CID 146177362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).