5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole

C11H13OPS — CID 134996545

IUPAC5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole
SMILESCC1(C)C=CP(=S)(c2ccccc2)O1
InChIInChI=1S/C11H13OPS/c1-11(2)8-9-13(14,12-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyUTJXLAFDHUQLCO-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.03
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole

5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole (PubChem CID 134996545) has the molecular formula C11H13OPS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole
PubChem CID134996545
Molecular FormulaC11H13OPS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole
SMILESCC1(C)C=CP(=S)(c2ccccc2)O1
InChIInChI=1S/C11H13OPS/c1-11(2)8-9-13(14,12-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyUTJXLAFDHUQLCO-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane
CID 132569703
(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane
CID 11436036
CID 10896224
CID 10896224
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene
CID 67826925
2,2,6,6-tetramethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
CID 4657476
5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 10105167
4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
CID 71329899
(5R)-2,2,5-trimethyl-5-phenylfuran
CID 129396442
2-methoxy-5,5-dimethyl-1,2λ5-oxaphosphole 2-oxide
CID 12599936
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
(1R,2R,4R,5R)-4-ethynyl-2,5-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-ol
CID 12602535

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole?
The IUPAC name of 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole (CID 134996545) is 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole?
The canonical SMILES for 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole is CC1(C)C=CP(=S)(c2ccccc2)O1.
What is the InChIKey of 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole?
The InChIKey is UTJXLAFDHUQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13OPS/c1-11(2)8-9-13(14,12-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole?
5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole has a molecular weight of 224.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole is sourced from PubChem (CID 134996545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).