(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione

C10H9NOS — CID 147368234

IUPAC(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
SMILESS=C1N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C10H9NOS/c13-10-11-9-7-4-2-1-3-6(7)5-8(9)12-10/h1-4,8-9H,5H2,(H,11,13)/t8-,9+/m1/s1
InChIKeyDIOZSJXTBQCNTG-BDAKNGLRSA-N
MW191.25 g/mol
LogP1.56
Rot. Bonds

About (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione

(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione (PubChem CID 147368234) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione.

Molecular Properties

Compound Name(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
PubChem CID147368234
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
SMILESS=C1N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C10H9NOS/c13-10-11-9-7-4-2-1-3-6(7)5-8(9)12-10/h1-4,8-9H,5H2,(H,11,13)/t8-,9+/m1/s1
InChIKeyDIOZSJXTBQCNTG-BDAKNGLRSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 162275079
CID 59694666
CID 59694666
(3aR,8bS)-2-methyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3,2]oxazaborole
CID 10888391
(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 89389775
CID 121233931
CID 121233931
CID 23662091
CID 23662091
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 10949221
(3aS,8bR)-7-tert-butyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
CID 70666143
(1R,9S)-10-oxa-12-thiatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,11(15),13-pentaene
CID 162419229

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione?
The IUPAC name of (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione (CID 147368234) is (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione.
What is the SMILES notation for (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione?
The canonical SMILES for (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione is S=C1N[C@H]2c3ccccc3C[C@H]2O1.
What is the InChIKey of (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione?
The InChIKey is DIOZSJXTBQCNTG-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H9NOS/c13-10-11-9-7-4-2-1-3-6(7)5-8(9)12-10/h1-4,8-9H,5H2,(H,11,13)/t8-,9+/m1/s1.
What are the key properties of (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione?
(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione has a molecular weight of 191.25 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione is sourced from PubChem (CID 147368234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).