4-(methylsulfinylmethyl)-1,3-dioxolan-2-one

C5H8O4S — CID 141304527

IUPAC4-(methylsulfinylmethyl)-1,3-dioxolan-2-one
SMILESCS(=O)CC1COC(=O)O1
InChIInChI=1S/C5H8O4S/c1-10(7)3-4-2-8-5(6)9-4/h4H,2-3H2,1H3
InChIKeyPTRLZGHSOQAFFF-UHFFFAOYSA-N
MW164.18 g/mol
LogP-0.10
Rot. Bonds2

About 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one

4-(methylsulfinylmethyl)-1,3-dioxolan-2-one (PubChem CID 141304527) has the molecular formula C5H8O4S and a molecular weight of 164.18 g/mol. Its IUPAC name is 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(methylsulfinylmethyl)-1,3-dioxolan-2-one
PubChem CID141304527
Molecular FormulaC5H8O4S
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name4-(methylsulfinylmethyl)-1,3-dioxolan-2-one
SMILESCS(=O)CC1COC(=O)O1
InChIInChI=1S/C5H8O4S/c1-10(7)3-4-2-8-5(6)9-4/h4H,2-3H2,1H3
InChIKeyPTRLZGHSOQAFFF-UHFFFAOYSA-N
XLogP-0.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941
4-butyl-1,3-dioxolan-2-one
CID 162009451
acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 131738683
4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one
CID 69116194
4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
CID 123515532
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one (CID 141304527) is 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one is CS(=O)CC1COC(=O)O1.
What is the InChIKey of 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one?
The InChIKey is PTRLZGHSOQAFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4S/c1-10(7)3-4-2-8-5(6)9-4/h4H,2-3H2,1H3.
What are the key properties of 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one?
4-(methylsulfinylmethyl)-1,3-dioxolan-2-one has a molecular weight of 164.18 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfinylmethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 141304527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).