4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one

C7H12O4S — CID 126995502

IUPAC4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one
SMILESCC(O)C(C)SC1COC(=O)O1
InChIInChI=1S/C7H12O4S/c1-4(8)5(2)12-6-3-10-7(9)11-6/h4-6,8H,3H2,1-2H3
InChIKeyMAZNQPNOGFSOKS-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.98
Rot. Bonds3

About 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one

4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one (PubChem CID 126995502) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one
PubChem CID126995502
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one
SMILESCC(O)C(C)SC1COC(=O)O1
InChIInChI=1S/C7H12O4S/c1-4(8)5(2)12-6-3-10-7(9)11-6/h4-6,8H,3H2,1-2H3
InChIKeyMAZNQPNOGFSOKS-UHFFFAOYSA-N
XLogP0.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one (CID 126995502) is 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one is CC(O)C(C)SC1COC(=O)O1.
What is the InChIKey of 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one?
The InChIKey is MAZNQPNOGFSOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-4(8)5(2)12-6-3-10-7(9)11-6/h4-6,8H,3H2,1-2H3.
What are the key properties of 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one?
4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one has a molecular weight of 192.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-ylsulfanyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 126995502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).