1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol

C9H20O4S2 — CID 18341900

IUPAC1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)COCOCC(O)CSC
InChIInChI=1S/C9H20O4S2/c1-14-5-8(10)3-12-7-13-4-9(11)6-15-2/h8-11H,3-7H2,1-2H3
InChIKeyAGCQBHQXJTWOKV-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.42
Rot. Bonds10

About 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol

1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol (PubChem CID 18341900) has the molecular formula C9H20O4S2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol
PubChem CID18341900
Molecular FormulaC9H20O4S2
Molecular Weight256.39 g/mol
Exact Mass256.08
IUPAC Name1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)COCOCC(O)CSC
InChIInChI=1S/C9H20O4S2/c1-14-5-8(10)3-12-7-13-4-9(11)6-15-2/h8-11H,3-7H2,1-2H3
InChIKeyAGCQBHQXJTWOKV-UHFFFAOYSA-N
XLogP0.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol 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

S-(3,3-diethoxy-2-hydroxypropyl) ethanethioate
CID 10933052
S-[(2R)-3,3-diethoxy-2-hydroxypropyl] ethanethioate
CID 135056029
(6R,7R)-7-hydroxy-6-(2-methoxyethoxymethoxy)-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocin-2-one
CID 10784503
1-Methylsulfanyl-3-(oxiran-2-ylmethoxymethoxy)propan-2-ol
CID 18341902
3-(2-Hydroxyethylsulfanyl)-1-[2-[2-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]ethoxy]ethoxy]propan-1-ol
CID 20521804
1-Ethylsulfanyl-3-[(3-ethylsulfanyl-2-methoxypropoxy)methoxy]-2-methoxypropane
CID 57165440
1-Methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
CID 57254908
1,1-Diethoxy-3-(ethylsulfanyl)-2-propanol
CID 89106797
2,3,3-Trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol
CID 10085531
1,1-Dimethoxy-3-methylsulfanylpropan-2-ol
CID 10397156
3-(3,3-Diethoxypropylsulfanyl)propane-1,2-diol
CID 79670237
3-(2,2-Diethoxyethylsulfanyl)propane-1,2-diol
CID 79683011

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol (CID 18341900) is 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol is CSCC(O)COCOCC(O)CSC.
What is the InChIKey of 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol?
The InChIKey is AGCQBHQXJTWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4S2/c1-14-5-8(10)3-12-7-13-4-9(11)6-15-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol?
1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.42, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methylsulfanylpropoxy)methoxy]-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 18341900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).