S-diphenylphosphinothioyl benzenecarbothioate

C19H15OPS2 — CID 10861163

IUPACS-diphenylphosphinothioyl benzenecarbothioate
SMILESO=C(SP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15OPS2/c20-19(16-10-4-1-5-11-16)23-21(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyUXVZBGQTFKXTTL-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.61
Rot. Bonds4

About S-diphenylphosphinothioyl benzenecarbothioate

S-diphenylphosphinothioyl benzenecarbothioate (PubChem CID 10861163) has the molecular formula C19H15OPS2 and a molecular weight of 354.44 g/mol. Its IUPAC name is S-diphenylphosphinothioyl benzenecarbothioate.

Molecular Properties

Compound NameS-diphenylphosphinothioyl benzenecarbothioate
PubChem CID10861163
Molecular FormulaC19H15OPS2
Molecular Weight354.44 g/mol
Exact Mass354.03
IUPAC NameS-diphenylphosphinothioyl benzenecarbothioate
SMILESO=C(SP(=S)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15OPS2/c20-19(16-10-4-1-5-11-16)23-21(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyUXVZBGQTFKXTTL-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-dimethoxyphosphinothioyl benzenecarbothioate
CID 13352061
diphenylphosphinothioyl(phenyl)methanone
CID 54293875
S-amino benzenecarbothioate
CID 569822
S-isocyanato benzenecarbothioate
CID 22254045
S-methylsulfanyl benzenecarbothioate
CID 15469185
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
diphenylmethanone;hydron;fluoride
CID 21465824
S-ethoxy benzenecarbothioate
CID 24974062
benzoylsulfanylmethylidene(dimethyl)azanium
CID 13444024
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
S-ethynyl benzenecarbothioate
CID 88520034
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of S-diphenylphosphinothioyl benzenecarbothioate?
The IUPAC name of S-diphenylphosphinothioyl benzenecarbothioate (CID 10861163) is S-diphenylphosphinothioyl benzenecarbothioate.
What is the SMILES notation for S-diphenylphosphinothioyl benzenecarbothioate?
The canonical SMILES for S-diphenylphosphinothioyl benzenecarbothioate is O=C(SP(=S)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of S-diphenylphosphinothioyl benzenecarbothioate?
The InChIKey is UXVZBGQTFKXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15OPS2/c20-19(16-10-4-1-5-11-16)23-21(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of S-diphenylphosphinothioyl benzenecarbothioate?
S-diphenylphosphinothioyl benzenecarbothioate has a molecular weight of 354.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-diphenylphosphinothioyl benzenecarbothioate is sourced from PubChem (CID 10861163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).