(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane

C9H16O2S2 — CID 134895134

IUPAC(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C2SCCCS2)O1
InChIInChI=1S/C9H16O2S2/c1-9(2)10-6-7(11-9)8-12-4-3-5-13-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeySSYFVHVVGXEXKU-ZETCQYMHSA-N
MW220.36 g/mol
LogP2.33
Rot. Bonds1

About (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane

(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 134895134) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
PubChem CID134895134
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C2SCCCS2)O1
InChIInChI=1S/C9H16O2S2/c1-9(2)10-6-7(11-9)8-12-4-3-5-13-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeySSYFVHVVGXEXKU-ZETCQYMHSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
1,4-Dioxa-7,9-dithiaspiro[4.5]decane
CID 21678320
2-(1,3-Dithian-2-ylmethyl)-1,3-dioxolane
CID 13952910
4-Methyl-5-athyl-6.8-dioxa-3-thia-bicyclo-[3.2.1]-octan
CID 129628576
5-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 536590
4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537487
2-[2-(1,3-Dithian-2-yl)ethyl]-1,3-dioxolane
CID 583278
4-(1,3-Dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 24812664
1,4-Dioxa-8-thiaspiro[4.5]decane-7-thiol
CID 12336001
3,6,8-Trimethyl-1,10-dioxa-4,7-dithiaspiro[4.5]decane
CID 21988032
2,8,10-Trimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
CID 22186245
2,8-Dimethyl-1,9-dioxa-4,6-dithiaspiro[4.5]decane
CID 22186288

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane (CID 134895134) is (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](C2SCCCS2)O1.
What is the InChIKey of (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is SSYFVHVVGXEXKU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16O2S2/c1-9(2)10-6-7(11-9)8-12-4-3-5-13-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane?
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 220.36 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 134895134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).