(2S,3R)-2,3-dimethylthiirane 1,1-dioxide

C4H8O2S — CID 14744204

IUPAC(2S,3R)-2,3-dimethylthiirane 1,1-dioxide
SMILESC[C@@H]1[C@H](C)S1(=O)=O
InChIInChI=1S/C4H8O2S/c1-3-4(2)7(3,5)6/h3-4H,1-2H3/t3-,4+
InChIKeyFAXAWLXXQOPCQN-ZXZARUISSA-N
MW120.17 g/mol
LogP0.19
Rot. Bonds

About (2S,3R)-2,3-dimethylthiirane 1,1-dioxide

(2S,3R)-2,3-dimethylthiirane 1,1-dioxide (PubChem CID 14744204) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethylthiirane 1,1-dioxide.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethylthiirane 1,1-dioxide
PubChem CID14744204
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(2S,3R)-2,3-dimethylthiirane 1,1-dioxide
SMILESC[C@@H]1[C@H](C)S1(=O)=O
InChIInChI=1S/C4H8O2S/c1-3-4(2)7(3,5)6/h3-4H,1-2H3/t3-,4+
InChIKeyFAXAWLXXQOPCQN-ZXZARUISSA-N
XLogP0.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Propyl sulfone
CID 11709
Isopropyl sulfone
CID 96232
Methyl propyl sulfone
CID 121250
Ethyl sulfone
CID 69004
Butyl ethyl sulfone
CID 520509
Ethyl Isopropyl Sulfone
CID 21719919
Butane, 1-(methylsulfonyl)-
CID 139046
2-(Methylsulphonyl)propane
CID 138372
2-(Ethylsulphonyl)-2-methylpropane
CID 141865
Thiirane, 2,3-dimethyl-, 1,1-dioxide
CID 143189
Ethane, 1-(ethylsulfonyl)-2-(methylthio)-
CID 184429
Ethyl n-propyl sulfone
CID 520507

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethylthiirane 1,1-dioxide?
The IUPAC name of (2S,3R)-2,3-dimethylthiirane 1,1-dioxide (CID 14744204) is (2S,3R)-2,3-dimethylthiirane 1,1-dioxide.
What is the SMILES notation for (2S,3R)-2,3-dimethylthiirane 1,1-dioxide?
The canonical SMILES for (2S,3R)-2,3-dimethylthiirane 1,1-dioxide is C[C@@H]1[C@H](C)S1(=O)=O.
What is the InChIKey of (2S,3R)-2,3-dimethylthiirane 1,1-dioxide?
The InChIKey is FAXAWLXXQOPCQN-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8O2S/c1-3-4(2)7(3,5)6/h3-4H,1-2H3/t3-,4+.
What are the key properties of (2S,3R)-2,3-dimethylthiirane 1,1-dioxide?
(2S,3R)-2,3-dimethylthiirane 1,1-dioxide has a molecular weight of 120.17 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethylthiirane 1,1-dioxide is sourced from PubChem (CID 14744204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).