[(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol

C10H18O2S2 — CID 11806601

IUPAC[(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol
SMILESOC[C@H]1COCC[C@H]1CC1SCCS1
InChIInChI=1S/C10H18O2S2/c11-6-9-7-12-2-1-8(9)5-10-13-3-4-14-10/h8-11H,1-7H2/t8-,9-/m0/s1
InChIKeyMEWHDYINHHYTLD-IUCAKERBSA-N
MW234.39 g/mol
LogP1.83
Rot. Bonds3

About [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol

[(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol (PubChem CID 11806601) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol
PubChem CID11806601
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name[(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol
SMILESOC[C@H]1COCC[C@H]1CC1SCCS1
InChIInChI=1S/C10H18O2S2/c11-6-9-7-12-2-1-8(9)5-10-13-3-4-14-10/h8-11H,1-7H2/t8-,9-/m0/s1
InChIKeyMEWHDYINHHYTLD-IUCAKERBSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol (CID 11806601) is [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol is OC[C@H]1COCC[C@H]1CC1SCCS1.
What is the InChIKey of [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol?
The InChIKey is MEWHDYINHHYTLD-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O2S2/c11-6-9-7-12-2-1-8(9)5-10-13-3-4-14-10/h8-11H,1-7H2/t8-,9-/m0/s1.
What are the key properties of [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol?
[(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol has a molecular weight of 234.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(1,3-dithiolan-2-ylmethyl)oxan-3-yl]methanol is sourced from PubChem (CID 11806601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).