(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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Related Compounds

3-Hydroxysulfolane
CID 98932
3,4-Dimethoxy-tetrahydro-thiophene 1,1-dioxide
CID 214010
(3R)-3-hydroxy-1lambda6-thiolane-1,1-dione
CID 7059047
3-Hydroxy-4-methanesulfonyl-1lambda6-thiolane-1,1-dione
CID 2736578
3-Hydroxy-4-methoxy-1lambda~6~-thiolane-1,1-dione
CID 209859
trans-Tetrahydrothiophene-3,4-diol 1,1-dioxide
CID 1270001
3,4-Dihydroxysulfolane
CID 85693
rac-(3R,4R)-3,4-dihydroxy-1lambda6-thiolane-1,1-dione
CID 7059048
(S)-3-(2-hydroxyethoxy)-1lambda-tetrahydro-1H-thiophene-1,1-dione
CID 7059094
(3R,4S)-3,4-dihydroxytetrahydrothiophene 1,1-dioxide
CID 1270002
cis-3,4-Di-methoxysulfolane
CID 1271672
(3S,4S)-3,4-dimethoxytetrahydrothiophene 1,1-dioxide
CID 6554010

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).