1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene

C19H15Cl2OPS — CID 154722059

IUPAC1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene
SMILESCc1ccc(SP(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2OPS/c1-14-2-12-19(13-3-14)24-23(22,17-8-4-15(20)5-9-17)18-10-6-16(21)7-11-18/h2-13H,1H3
InChIKeyZEXQBDAHJFVAPG-UHFFFAOYSA-N
MW393.28 g/mol
LogP6.32
Rot. Bonds4

About 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene

1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene (PubChem CID 154722059) has the molecular formula C19H15Cl2OPS and a molecular weight of 393.28 g/mol. Its IUPAC name is 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene
PubChem CID154722059
Molecular FormulaC19H15Cl2OPS
Molecular Weight393.28 g/mol
Exact Mass392.00
IUPAC Name1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene
SMILESCc1ccc(SP(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2OPS/c1-14-2-12-19(13-3-14)24-23(22,17-8-4-15(20)5-9-17)18-10-6-16(21)7-11-18/h2-13H,1H3
InChIKeyZEXQBDAHJFVAPG-UHFFFAOYSA-N
XLogP6.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 56.32
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

2-bromo-4-chloro-1-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylphosphoryl]benzene
CID 177454282
bis[(4-chlorophenyl)sulfanyl]phosphinic acid
CID 11142675
bis[(4-chlorophenyl)sulfanyl]phosphinic acid;hydrochloride
CID 70448717
1-chloro-4-methylbenzene;zinc
CID 174694335
3-(4-chlorophenyl)sulfanyl-4-(4-methylphenyl)sulfanylcyclobut-3-ene-1,2-dione
CID 118406601
1-chloro-4-methylbenzene;formic acid
CID 158103199
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596
carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
CID 11986165
dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride
CID 153434059
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
1-dibromophosphoryl-4-methylbenzene
CID 154160325

Frequently Asked Questions

What is the IUPAC name of 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene?
The IUPAC name of 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene (CID 154722059) is 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene.
What is the SMILES notation for 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene?
The canonical SMILES for 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene is Cc1ccc(SP(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene?
The InChIKey is ZEXQBDAHJFVAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2OPS/c1-14-2-12-19(13-3-14)24-23(22,17-8-4-15(20)5-9-17)18-10-6-16(21)7-11-18/h2-13H,1H3.
What are the key properties of 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene?
1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene has a molecular weight of 393.28 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(4-chlorophenyl)phosphorylsulfanyl-4-methylbenzene is sourced from PubChem (CID 154722059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).