2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol

C9H20O4S3 — CID 10085531

IUPAC2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol
SMILESCOC(OC)C(O)(OC)C(SC)(SC)SC
InChIInChI=1S/C9H20O4S3/c1-11-7(12-2)8(10,13-3)9(14-4,15-5)16-6/h7,10H,1-6H3
InChIKeyRCFKHLRCOCXOGL-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.68
Rot. Bonds8

About 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol

2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol (PubChem CID 10085531) has the molecular formula C9H20O4S3 and a molecular weight of 288.46 g/mol. Its IUPAC name is 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol
PubChem CID10085531
Molecular FormulaC9H20O4S3
Molecular Weight288.46 g/mol
Exact Mass288.05
IUPAC Name2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol
SMILESCOC(OC)C(O)(OC)C(SC)(SC)SC
InChIInChI=1S/C9H20O4S3/c1-11-7(12-2)8(10,13-3)9(14-4,15-5)16-6/h7,10H,1-6H3
InChIKeyRCFKHLRCOCXOGL-UHFFFAOYSA-N
XLogP1.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol?
The IUPAC name of 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol (CID 10085531) is 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol.
What is the SMILES notation for 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol?
The canonical SMILES for 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol is COC(OC)C(O)(OC)C(SC)(SC)SC.
What is the InChIKey of 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol?
The InChIKey is RCFKHLRCOCXOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4S3/c1-11-7(12-2)8(10,13-3)9(14-4,15-5)16-6/h7,10H,1-6H3.
What are the key properties of 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol?
2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol has a molecular weight of 288.46 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethoxy-1,1,1-tris(methylsulfanyl)propan-2-ol is sourced from PubChem (CID 10085531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).