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

C6H10O4S — CID 131155376

IUPAC4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one
SMILESCC(CO)SC1COC(=O)O1
InChIInChI=1S/C6H10O4S/c1-4(2-7)11-5-3-9-6(8)10-5/h4-5,7H,2-3H2,1H3
InChIKeyINFSUUFAZBKMBN-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.59
Rot. Bonds3

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

4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one (PubChem CID 131155376) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one
PubChem CID131155376
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one
SMILESCC(CO)SC1COC(=O)O1
InChIInChI=1S/C6H10O4S/c1-4(2-7)11-5-3-9-6(8)10-5/h4-5,7H,2-3H2,1H3
InChIKeyINFSUUFAZBKMBN-UHFFFAOYSA-N
XLogP0.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one (CID 131155376) is 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one is CC(CO)SC1COC(=O)O1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one?
The InChIKey is INFSUUFAZBKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-4(2-7)11-5-3-9-6(8)10-5/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one?
4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one has a molecular weight of 178.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylsulfanyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 131155376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).