2,3-dihydroxypropyl 2-tetradecylsulfanylacetate

C19H38O4S — CID 10309131

IUPAC2,3-dihydroxypropyl 2-tetradecylsulfanylacetate
SMILESCCCCCCCCCCCCCCSCC(=O)OCC(O)CO
InChIInChI=1S/C19H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-17-19(22)23-16-18(21)15-20/h18,20-21H,2-17H2,1H3
InChIKeyLSEBRDUEVHOZIP-UHFFFAOYSA-N
MW362.58 g/mol
LogP4.32
Rot. Bonds18

About 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate

2,3-dihydroxypropyl 2-tetradecylsulfanylacetate (PubChem CID 10309131) has the molecular formula C19H38O4S and a molecular weight of 362.58 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-tetradecylsulfanylacetate
PubChem CID10309131
Molecular FormulaC19H38O4S
Molecular Weight362.58 g/mol
Exact Mass362.25
IUPAC Name2,3-dihydroxypropyl 2-tetradecylsulfanylacetate
SMILESCCCCCCCCCCCCCCSCC(=O)OCC(O)CO
InChIInChI=1S/C19H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-17-19(22)23-16-18(21)15-20/h18,20-21H,2-17H2,1H3
InChIKeyLSEBRDUEVHOZIP-UHFFFAOYSA-N
XLogP4.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2,3-dihydroxypropyl] 2-tetradecylsulfanylacetate
CID 127038913
Tritetradecylthioacetyl glycerol
CID 12149022
(1-Hydroxy-3-octadecylsulfanylpropan-2-yl) acetate
CID 13394117
2,3-Dihydroxypropyl 3-(hexylthio)propionate
CID 5362571
1,3-Diacetyloxypropan-2-yl 2-tetradecylsulfanylacetate
CID 10388890
(1-Hexadecylsulfanyl-3-hydroxypropan-2-yl) acetate
CID 13002866
(+/-)-1-S-hexadecyl-2-O-ethylthioglycerol
CID 14282492
2-Ethoxy-3-hexadecan-2-ylsulfanylpropan-1-ol
CID 19965820
2-Ethoxy-3-tetradecylsulfanylpropan-1-ol
CID 20462146
2-(2-Hydroxyethoxy)-3-octadecylsulfanylpropan-1-ol
CID 20462281
3-Hexadecylsulfanyl-2-(2-methoxyethoxy)propan-1-ol
CID 20462299
2-Ethoxy-3-heptadecylsulfanylpropan-1-ol
CID 20462301

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate?
The IUPAC name of 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate (CID 10309131) is 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate?
The canonical SMILES for 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate is CCCCCCCCCCCCCCSCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate?
The InChIKey is LSEBRDUEVHOZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-17-19(22)23-16-18(21)15-20/h18,20-21H,2-17H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate?
2,3-dihydroxypropyl 2-tetradecylsulfanylacetate has a molecular weight of 362.58 g/mol, XLogP of 4.32, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-tetradecylsulfanylacetate is sourced from PubChem (CID 10309131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).