thiolane 1,1-dioxide;hydrate

C4H10O3S — CID 69115191

IUPACthiolane 1,1-dioxide;hydrate
SMILESO.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.H2O/c5-7(6)3-1-2-4-7;/h1-4H2;1H2
InChIKeyYDJTVHXQNJVWPL-UHFFFAOYSA-N
MW138.19 g/mol
LogP-0.63
Rot. Bonds

About thiolane 1,1-dioxide;hydrate

thiolane 1,1-dioxide;hydrate (PubChem CID 69115191) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is thiolane 1,1-dioxide;hydrate.

Molecular Properties

Compound Namethiolane 1,1-dioxide;hydrate
PubChem CID69115191
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Namethiolane 1,1-dioxide;hydrate
SMILESO.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.H2O/c5-7(6)3-1-2-4-7;/h1-4H2;1H2
InChIKeyYDJTVHXQNJVWPL-UHFFFAOYSA-N
XLogP-0.63
TPSA65.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfolane
CID 31347
Tetramethylene sulfoxide
CID 1128
Propyl sulfone
CID 11709
2-Methyltetrahydrothiophene 1,1-dioxide
CID 549931
Butyl ethyl sulfone
CID 520509
Tetramethylene-D8 sulfone
CID 2733922
Ethyl n-propyl sulfone
CID 520507
2-Ethyltetrahydrothiophene 1,1-dioxide
CID 544727
3-Ethylsulfanylthiolane 1,1-dioxide
CID 315894
(2R,5R)-2,5-dimethylthiolane 1,1-dioxide
CID 12385612
3-Thiophenesulfonic acid, tetrahydro-, 1,1-dioxide
CID 3094470
3-Sulfanyl-1lambda~6~-thiolane-1,1-dione
CID 3865522

Frequently Asked Questions

What is the IUPAC name of thiolane 1,1-dioxide;hydrate?
The IUPAC name of thiolane 1,1-dioxide;hydrate (CID 69115191) is thiolane 1,1-dioxide;hydrate.
What is the SMILES notation for thiolane 1,1-dioxide;hydrate?
The canonical SMILES for thiolane 1,1-dioxide;hydrate is O.O=S1(=O)CCCC1.
What is the InChIKey of thiolane 1,1-dioxide;hydrate?
The InChIKey is YDJTVHXQNJVWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.H2O/c5-7(6)3-1-2-4-7;/h1-4H2;1H2.
What are the key properties of thiolane 1,1-dioxide;hydrate?
thiolane 1,1-dioxide;hydrate has a molecular weight of 138.19 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane 1,1-dioxide;hydrate is sourced from PubChem (CID 69115191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).