3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole

C4H6O2S2 — CID 88693550

IUPAC3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole
SMILESC1OC2SCSC2O1
InChIInChI=1S/C4H6O2S2/c1-5-3-4(6-1)8-2-7-3/h3-4H,1-2H2
InChIKeySWSXRAZJZDLJKO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.08
Rot. Bonds

About 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole

3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole (PubChem CID 88693550) has the molecular formula C4H6O2S2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole.

Molecular Properties

Compound Name3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole
PubChem CID88693550
Molecular FormulaC4H6O2S2
Molecular Weight150.22 g/mol
Exact Mass149.98
IUPAC Name3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole
SMILESC1OC2SCSC2O1
InChIInChI=1S/C4H6O2S2/c1-5-3-4(6-1)8-2-7-3/h3-4H,1-2H2
InChIKeySWSXRAZJZDLJKO-UHFFFAOYSA-N
XLogP1.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1,3-dioxetane
CID 57084930
(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
(4R,5R)-4,5-dimethyl-1,3-dithiolane
CID 135251680
4,5-diisocyanato-1,3-dithiolane
CID 158743108
1,3,5-trithiane-2,4-dithiol
CID 22238759
(4S,4aR,8S,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4,8-dicarboxylic acid
CID 122399437
8-methyl-1,4-oxathiocan-3-ol
CID 58183534
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]oxathiole
CID 67194939
(4R,5R)-4,5-bis(chloromethyl)-1,3-dioxolane
CID 130950632
[(4R,5R)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
CID 10441741
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
2-(thiiran-2-ylsulfanylmethylsulfanyl)thiirane
CID 87238552

Frequently Asked Questions

What is the IUPAC name of 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole?
The IUPAC name of 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole (CID 88693550) is 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole.
What is the SMILES notation for 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole?
The canonical SMILES for 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole is C1OC2SCSC2O1.
What is the InChIKey of 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole?
The InChIKey is SWSXRAZJZDLJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S2/c1-5-3-4(6-1)8-2-7-3/h3-4H,1-2H2.
What are the key properties of 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole?
3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole has a molecular weight of 150.22 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole is sourced from PubChem (CID 88693550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).