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

C11H20O2S2 — CID 11322624

IUPAC(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CCC2SCCCS2)O1
InChIInChI=1S/C11H20O2S2/c1-11(2)12-8-9(13-11)4-5-10-14-6-3-7-15-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySYDCXTHQMPXZCT-VIFPVBQESA-N
MW248.41 g/mol
LogP3.11
Rot. Bonds3

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

(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11322624) has the molecular formula C11H20O2S2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11322624
Molecular FormulaC11H20O2S2
Molecular Weight248.41 g/mol
Exact Mass248.09
IUPAC Name(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CCC2SCCCS2)O1
InChIInChI=1S/C11H20O2S2/c1-11(2)12-8-9(13-11)4-5-10-14-6-3-7-15-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySYDCXTHQMPXZCT-VIFPVBQESA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,8-Dithiaspiro[2.5]octan-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 495486
4-[Bis(ethylsulfanyl)methyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
CID 268838
(4R,5R)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11267692
4-[(2R)-4,8-dithiaspiro[2.5]octan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 376111
(3aR,4R,8aR)-4-(1,3-dithian-2-yl)-2,2,6,6-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepine
CID 392652
4-(1,3-Dithian-2-yl)-2,2,6,6-tetramethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepine
CID 496543
4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
(4S,5R)-4-[bis(ethylsulfanyl)methyl]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
CID 11782662
(2S,3S,4R) 3,4-O-isopropylidene-2-phenyl-tetrahydrofuran-3,4-diol
CID 11207748
2-(2-Methyl-1,3-dithiolan-2-yl)-2-propyl-1,3-dioxolane
CID 12296895
(2S,5R)-2-methyl-1,10-dioxa-4-thiaspiro[4.5]decane
CID 12992188
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithian-2-yl)ethanol
CID 14604460

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane (CID 11322624) is (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](CCC2SCCCS2)O1.
What is the InChIKey of (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is SYDCXTHQMPXZCT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20O2S2/c1-11(2)12-8-9(13-11)4-5-10-14-6-3-7-15-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 248.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(1,3-dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11322624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).