[dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium

C5H11O4S2+ — CID 172691343

IUPAC[dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium
SMILESO=S(O)(O)=[S+]CC1CCCO1
InChIInChI=1S/C5H10O4S2/c6-11(7,8)10-4-5-2-1-3-9-5/h5H,1-4H2,(H-,6,7,8)/p+1
InChIKeyGMQZWTFIGVRSQY-UHFFFAOYSA-O
MW199.27 g/mol
LogP0.39
Rot. Bonds2

About [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium

[dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium (PubChem CID 172691343) has the molecular formula C5H11O4S2+ and a molecular weight of 199.27 g/mol. Its IUPAC name is [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium.

Molecular Properties

Compound Name[dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium
PubChem CID172691343
Molecular FormulaC5H11O4S2+
Molecular Weight199.27 g/mol
Exact Mass199.01
IUPAC Name[dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium
SMILESO=S(O)(O)=[S+]CC1CCCO1
InChIInChI=1S/C5H10O4S2/c6-11(7,8)10-4-5-2-1-3-9-5/h5H,1-4H2,(H-,6,7,8)/p+1
InChIKeyGMQZWTFIGVRSQY-UHFFFAOYSA-O
XLogP0.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium 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

1-methylsulfonyl-3-(oxolan-2-yl)propan-2-one
CID 114998406
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
hydron;oxolan-2-ylmethanol
CID 174439667
oxolan-2-ylmethanol;hydrochloride
CID 155166529
2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
2-[3-(oxolan-2-yl)propyl]guanidine;sulfuric acid
CID 21128698

Frequently Asked Questions

What is the IUPAC name of [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium?
The IUPAC name of [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium (CID 172691343) is [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium.
What is the SMILES notation for [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium?
The canonical SMILES for [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium is O=S(O)(O)=[S+]CC1CCCO1.
What is the InChIKey of [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium?
The InChIKey is GMQZWTFIGVRSQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10O4S2/c6-11(7,8)10-4-5-2-1-3-9-5/h5H,1-4H2,(H-,6,7,8)/p+1.
What are the key properties of [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium?
[dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium has a molecular weight of 199.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy(oxo)-λ6-sulfanylidene]-(oxolan-2-ylmethyl)sulfanium is sourced from PubChem (CID 172691343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).