4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione

C7H10N2O3S — CID 134613200

IUPAC4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione
SMILESO[C@@H]1[C@@H](O)CO[C@H]1c1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H10N2O3S/c10-4-2-12-6(5(4)11)3-1-8-7(13)9-3/h1,4-6,10-11H,2H2,(H2,8,9,13)/t4-,5+,6-/m0/s1
InChIKeySKOBBIDRDNBDHN-JKUQZMGJSA-N
MW202.23 g/mol
LogP-0.13
Rot. Bonds1

About 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione

4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione (PubChem CID 134613200) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione
PubChem CID134613200
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione
SMILESO[C@@H]1[C@@H](O)CO[C@H]1c1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H10N2O3S/c10-4-2-12-6(5(4)11)3-1-8-7(13)9-3/h1,4-6,10-11H,2H2,(H2,8,9,13)/t4-,5+,6-/m0/s1
InChIKeySKOBBIDRDNBDHN-JKUQZMGJSA-N
XLogP-0.13
TPSA81.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione (CID 134613200) is 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione is O[C@@H]1[C@@H](O)CO[C@H]1c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione?
The InChIKey is SKOBBIDRDNBDHN-JKUQZMGJSA-N. The full InChI is InChI=1S/C7H10N2O3S/c10-4-2-12-6(5(4)11)3-1-8-7(13)9-3/h1,4-6,10-11H,2H2,(H2,8,9,13)/t4-,5+,6-/m0/s1.
What are the key properties of 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione?
4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione has a molecular weight of 202.23 g/mol, XLogP of -0.13, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 134613200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).