(3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol

C5H10O4S — CID 7005977

IUPAC(3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol
SMILESCO[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C5H10O4S/c1-9-5-3-10(7,8)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyIEIXUOFOSLJYOT-RFZPGFLSSA-N
MW166.20 g/mol
LogP-1.21
Rot. Bonds1

About (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol

(3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol (PubChem CID 7005977) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol
PubChem CID7005977
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name(3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol
SMILESCO[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C5H10O4S/c1-9-5-3-10(7,8)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyIEIXUOFOSLJYOT-RFZPGFLSSA-N
XLogP-1.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol (CID 7005977) is (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol is CO[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol?
The InChIKey is IEIXUOFOSLJYOT-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10O4S/c1-9-5-3-10(7,8)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol?
(3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol has a molecular weight of 166.20 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 7005977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).