6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione

C13H15NO3S2 — CID 146330294

IUPAC6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione
SMILESCc1cc2ccn([C@H]3CC(O)[C@@H](CO)O3)c(=S)c2s1
InChIInChI=1S/C13H15NO3S2/c1-7-4-8-2-3-14(13(18)12(8)19-7)11-5-9(16)10(6-15)17-11/h2-4,9-11,15-16H,5-6H2,1H3/t9?,10-,11-/m1/s1
InChIKeyQCEFVUSYFUJCOI-FHZGLPGMSA-N
MW297.40 g/mol
LogP2.38
Rot. Bonds2

About 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione

6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione (PubChem CID 146330294) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione
PubChem CID146330294
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione
SMILESCc1cc2ccn([C@H]3CC(O)[C@@H](CO)O3)c(=S)c2s1
InChIInChI=1S/C13H15NO3S2/c1-7-4-8-2-3-14(13(18)12(8)19-7)11-5-9(16)10(6-15)17-11/h2-4,9-11,15-16H,5-6H2,1H3/t9?,10-,11-/m1/s1
InChIKeyQCEFVUSYFUJCOI-FHZGLPGMSA-N
XLogP2.38
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione with MolForge

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Related Compounds

2-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylisoquinoline-1-thione
CID 164880819
5-[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[5,4-c]pyridine-4-thione
CID 156737100
3-hydroxy-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyridine-4-thione
CID 58776098
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-4-sulfanylidenepyrimidin-2-one
CID 22875283
3-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 91560968
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
[hydroxy-[[(2R,5R)-3-hydroxy-5-(2-methyl-4-sulfanylidenethieno[3,2-c]pyridin-5-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 146330391
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione?
The IUPAC name of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione (CID 146330294) is 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione is Cc1cc2ccn([C@H]3CC(O)[C@@H](CO)O3)c(=S)c2s1.
What is the InChIKey of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione?
The InChIKey is QCEFVUSYFUJCOI-FHZGLPGMSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-7-4-8-2-3-14(13(18)12(8)19-7)11-5-9(16)10(6-15)17-11/h2-4,9-11,15-16H,5-6H2,1H3/t9?,10-,11-/m1/s1.
What are the key properties of 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione?
6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione has a molecular weight of 297.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylthieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 146330294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).