(4,5-dimethyl-1,3-dithiolan-2-yl)methanol

C6H12OS2 — CID 23389974

IUPAC(4,5-dimethyl-1,3-dithiolan-2-yl)methanol
SMILESCC1SC(CO)SC1C
InChIInChI=1S/C6H12OS2/c1-4-5(2)9-6(3-7)8-4/h4-7H,3H2,1-2H3
InChIKeyDGARTYOGBBVZLW-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.56
Rot. Bonds1

About (4,5-dimethyl-1,3-dithiolan-2-yl)methanol

(4,5-dimethyl-1,3-dithiolan-2-yl)methanol (PubChem CID 23389974) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-dithiolan-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-dithiolan-2-yl)methanol
PubChem CID23389974
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name(4,5-dimethyl-1,3-dithiolan-2-yl)methanol
SMILESCC1SC(CO)SC1C
InChIInChI=1S/C6H12OS2/c1-4-5(2)9-6(3-7)8-4/h4-7H,3H2,1-2H3
InChIKeyDGARTYOGBBVZLW-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dithiol-2-ylmethanol
CID 141274373
(4S,5S)-4,5-dimethyl-1,3-dithiolane-2-carbonyl chloride
CID 45081740
(2S)-2-amino-3-[(2R,3R)-3-methylthiiran-2-yl]propanoic acid
CID 57340121
2-(hydroxymethyl)-3,6-dimethylthian-4-ol
CID 143617465
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
[(2S,3S)-3-aminothiiran-2-yl]methanol
CID 155928425
[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol
CID 71410701
3,5-bis(hydroxymethyl)-2-methylthiolan-3-ol
CID 91562051
(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol
CID 54370986
(4,5-dimethyl-1,3-dioxolan-2-yl)methanol
CID 58896345
[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol
CID 131846797
(2S,3S)-3-methylthiirane-2-carboxylic acid
CID 55302886

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-dithiolan-2-yl)methanol?
The IUPAC name of (4,5-dimethyl-1,3-dithiolan-2-yl)methanol (CID 23389974) is (4,5-dimethyl-1,3-dithiolan-2-yl)methanol.
What is the SMILES notation for (4,5-dimethyl-1,3-dithiolan-2-yl)methanol?
The canonical SMILES for (4,5-dimethyl-1,3-dithiolan-2-yl)methanol is CC1SC(CO)SC1C.
What is the InChIKey of (4,5-dimethyl-1,3-dithiolan-2-yl)methanol?
The InChIKey is DGARTYOGBBVZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-4-5(2)9-6(3-7)8-4/h4-7H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-dithiolan-2-yl)methanol?
(4,5-dimethyl-1,3-dithiolan-2-yl)methanol has a molecular weight of 164.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-dithiolan-2-yl)methanol is sourced from PubChem (CID 23389974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).