[(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol

C8H16O3S — CID 101181654

IUPAC[(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol
SMILESCOCO[C@@H]1CCSC[C@H]1CO
InChIInChI=1S/C8H16O3S/c1-10-6-11-8-2-3-12-5-7(8)4-9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyDHJDTXUVXPTZEO-HTQZYQBOSA-N
MW192.28 g/mol
LogP0.72
Rot. Bonds4

About [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol

[(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol (PubChem CID 101181654) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol
PubChem CID101181654
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name[(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol
SMILESCOCO[C@@H]1CCSC[C@H]1CO
InChIInChI=1S/C8H16O3S/c1-10-6-11-8-2-3-12-5-7(8)4-9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyDHJDTXUVXPTZEO-HTQZYQBOSA-N
XLogP0.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol (CID 101181654) is [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol is COCO[C@@H]1CCSC[C@H]1CO.
What is the InChIKey of [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol?
The InChIKey is DHJDTXUVXPTZEO-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O3S/c1-10-6-11-8-2-3-12-5-7(8)4-9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol?
[(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol has a molecular weight of 192.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(methoxymethoxy)thian-3-yl]methanol is sourced from PubChem (CID 101181654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).