(1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione

C11H10OS — CID 102004018

IUPAC(1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione
SMILESS=C1OC[C@H]2C[C@@]12c1ccccc1
InChIInChI=1S/C11H10OS/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m1/s1
InChIKeyKERABVIPMOHGFG-KOLCDFICSA-N
MW190.27 g/mol
LogP2.30
Rot. Bonds1

About (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione

(1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione (PubChem CID 102004018) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione.

Molecular Properties

Compound Name(1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione
PubChem CID102004018
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name(1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione
SMILESS=C1OC[C@H]2C[C@@]12c1ccccc1
InChIInChI=1S/C11H10OS/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m1/s1
InChIKeyKERABVIPMOHGFG-KOLCDFICSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,7aS)-7a-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 58954920
3-phenyltetracyclo[7.4.0.02,7.03,5]trideca-1(13),2(7),9,11-tetraen-8-one
CID 10682644
1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane
CID 135020268
1,2,6-triphenyltricyclo[2.2.0.02,6]hexane
CID 12584660
(1S,6R)-4-methyl-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CID 10774046
(1R,5R)-3-methylsulfonyl-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 125489294
3,3-diphenyloxolan-2-ol
CID 102188160
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
4-[(1R)-2,2-diphenylcyclopropyl]pyridine
CID 7103626
(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione
CID 102505304
(1S,5S)-6,6-dimethyl-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 131856201

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione?
The IUPAC name of (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione (CID 102004018) is (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione.
What is the SMILES notation for (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione?
The canonical SMILES for (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione is S=C1OC[C@H]2C[C@@]12c1ccccc1.
What is the InChIKey of (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione?
The InChIKey is KERABVIPMOHGFG-KOLCDFICSA-N. The full InChI is InChI=1S/C11H10OS/c13-10-11(6-9(11)7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m1/s1.
What are the key properties of (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione?
(1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione has a molecular weight of 190.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexane-2-thione is sourced from PubChem (CID 102004018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).