(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane

C11H13OPS — CID 11436036

IUPAC(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane
SMILESC[C@@]12CC[P@@](=S)(c3ccccc3)[C@@H]1O2
InChIInChI=1S/C11H13OPS/c1-11-7-8-13(14,10(11)12-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+,13+/m0/s1
InChIKeyVFKRWHBDVPFTIP-DMDPSCGWSA-N
MW224.26 g/mol
LogP2.31
Rot. Bonds1

About (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane

(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane (PubChem CID 11436036) has the molecular formula C11H13OPS and a molecular weight of 224.26 g/mol. Its IUPAC name is (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane
PubChem CID11436036
Molecular FormulaC11H13OPS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane
SMILESC[C@@]12CC[P@@](=S)(c3ccccc3)[C@@H]1O2
InChIInChI=1S/C11H13OPS/c1-11-7-8-13(14,10(11)12-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+,13+/m0/s1
InChIKeyVFKRWHBDVPFTIP-DMDPSCGWSA-N
XLogP2.31
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 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

3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane
CID 132569703
5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole
CID 134996545
(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane
CID 69259732
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
CID 71329899
5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 10105167
2,2,6,6-tetramethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
CID 4657476
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102258017
sodium;hydride;2,2,6,6-tetramethyl-1-phenylpiperidine
CID 175329536
(1R,2R,4R,5R)-4-ethynyl-2,5-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-ol
CID 12602535
2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
CID 25014281

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane (CID 11436036) is (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane is C[C@@]12CC[P@@](=S)(c3ccccc3)[C@@H]1O2.
What is the InChIKey of (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane?
The InChIKey is VFKRWHBDVPFTIP-DMDPSCGWSA-N. The full InChI is InChI=1S/C11H13OPS/c1-11-7-8-13(14,10(11)12-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+,13+/m0/s1.
What are the key properties of (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane?
(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane has a molecular weight of 224.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane is sourced from PubChem (CID 11436036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).