[(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane

C24H25PS2 — CID 101250156

IUPAC[(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane
SMILESC[C@@H]1C[C@H](C)SC(c2ccccc2)(P(c2ccccc2)c2ccccc2)S1
InChIInChI=1S/C24H25PS2/c1-19-18-20(2)27-24(26-19,21-12-6-3-7-13-21)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3/t19-,20+,24?
InChIKeyMOGOMHQNFQRAKL-VXMMSVGHSA-N
MW408.57 g/mol
LogP6.58
Rot. Bonds4

About [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane

[(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane (PubChem CID 101250156) has the molecular formula C24H25PS2 and a molecular weight of 408.57 g/mol. Its IUPAC name is [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane
PubChem CID101250156
Molecular FormulaC24H25PS2
Molecular Weight408.57 g/mol
Exact Mass408.11
IUPAC Name[(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane
SMILESC[C@@H]1C[C@H](C)SC(c2ccccc2)(P(c2ccccc2)c2ccccc2)S1
InChIInChI=1S/C24H25PS2/c1-19-18-20(2)27-24(26-19,21-12-6-3-7-13-21)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3/t19-,20+,24?
InChIKeyMOGOMHQNFQRAKL-VXMMSVGHSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 56.58
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

(4S,6R)-2-diphenylphosphoryl-2,4,6-trimethyl-1,3-dithiane
CID 101250155
2-ethyl-4-methyl-2-phenyl-1,3-dithiolane
CID 121011199
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
5-methyl-3,3-diphenyldithiolan-4-ol
CID 164565347
[(4R)-2-diphenylphosphanyl-4,5-dimethyl-4-propan-2-ylcyclohexyl]-diphenylphosphane
CID 129170795
2-[2-(2-diphenylphosphanylpropan-2-yl)cyclopropyl]propan-2-yl-diphenylphosphane
CID 23403229
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
(1S,4R,5S,6S)-5,6-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
CID 10708640
bis(bicyclo[2.2.1]heptane);tris(dimethyl(phenyl)phosphane);bis(rhodium);dihexafluorophosphate
CID 171369767
ethane;triphenylphosphane
CID 90942156
(S)-ethyl-methyl-phenylphosphane
CID 10909914
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane?
The IUPAC name of [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane (CID 101250156) is [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane.
What is the SMILES notation for [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane?
The canonical SMILES for [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane is C[C@@H]1C[C@H](C)SC(c2ccccc2)(P(c2ccccc2)c2ccccc2)S1.
What is the InChIKey of [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane?
The InChIKey is MOGOMHQNFQRAKL-VXMMSVGHSA-N. The full InChI is InChI=1S/C24H25PS2/c1-19-18-20(2)27-24(26-19,21-12-6-3-7-13-21)25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3/t19-,20+,24?.
What are the key properties of [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane?
[(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane has a molecular weight of 408.57 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-4,6-dimethyl-2-phenyl-1,3-dithian-2-yl]-diphenylphosphane is sourced from PubChem (CID 101250156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).