3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol

C8H16O2S2 — CID 12664295

IUPAC3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol
SMILESCC1(C)SC(O)C(C)(C)SC1O
InChIInChI=1S/C8H16O2S2/c1-7(2)5(9)12-8(3,4)6(10)11-7/h5-6,9-10H,1-4H3
InChIKeyMHRNPHUOLYAYFP-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.66
Rot. Bonds

About 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol

3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol (PubChem CID 12664295) has the molecular formula C8H16O2S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol
PubChem CID12664295
Molecular FormulaC8H16O2S2
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol
SMILESCC1(C)SC(O)C(C)(C)SC1O
InChIInChI=1S/C8H16O2S2/c1-7(2)5(9)12-8(3,4)6(10)11-7/h5-6,9-10H,1-4H3
InChIKeyMHRNPHUOLYAYFP-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-[3-(Methoxymethylsulfanyl)butylsulfanyl]ethanol
CID 156014341
(2-Methyl[1,3]dithian-2-yl)methanol
CID 583620
1-Propanol, 3,3'-[1,2-ethanediylbis(thio)]bis-
CID 548322
3-(Tert-butylsulfanyl)propan-1-ol
CID 12300962
1,4-Dithiane-2-methanol
CID 14743130
1,3,5-Trithiane-2,4,6-triethanol, alpha2,alpha4,alpha6-trimethyl-
CID 44145154
2,2'-((2-Methylbutane-1,4-diyl)bis(thio))bisethanol
CID 44148449
4-(Tert-butylsulfanyl)butan-1-ol
CID 253476
3-((4-((3-Hydroxypropyl)thio)butyl)thio)-1-propanol
CID 373737
3-[3-(3-Hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol
CID 12513960
2-(2-Methyl-1,3-dithian-2-yl)propan-1-ol
CID 13497632

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol?
The IUPAC name of 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol (CID 12664295) is 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol.
What is the SMILES notation for 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol?
The canonical SMILES for 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol is CC1(C)SC(O)C(C)(C)SC1O.
What is the InChIKey of 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol?
The InChIKey is MHRNPHUOLYAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S2/c1-7(2)5(9)12-8(3,4)6(10)11-7/h5-6,9-10H,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol?
3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol has a molecular weight of 208.35 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1,4-dithiane-2,5-diol is sourced from PubChem (CID 12664295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).