2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone

C20H14Cl2OS — CID 18982559

IUPAC2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone
SMILESO=C(c1ccccc1)C(S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2OS/c21-17-10-6-15(7-11-17)20(24,16-8-12-18(22)13-9-16)19(23)14-4-2-1-3-5-14/h1-13,24H
InChIKeyRNUOJKSNNZDXGJ-UHFFFAOYSA-N
MW373.30 g/mol
LogP6.05
Rot. Bonds4

About 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone

2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone (PubChem CID 18982559) has the molecular formula C20H14Cl2OS and a molecular weight of 373.30 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone
PubChem CID18982559
Molecular FormulaC20H14Cl2OS
Molecular Weight373.30 g/mol
Exact Mass372.01
IUPAC Name2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone
SMILESO=C(c1ccccc1)C(S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2OS/c21-17-10-6-15(7-11-17)20(24,16-8-12-18(22)13-9-16)19(23)14-4-2-1-3-5-14/h1-13,24H
InChIKeyRNUOJKSNNZDXGJ-UHFFFAOYSA-N
XLogP6.05
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.30
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
2,2-bis(4-chlorophenyl)-1,4-diphenylbutane-1,4-dione
CID 167435249
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
2-amino-3-(4-chlorophenyl)-3-oxo-2-phenylpropanoic acid
CID 69400061
2-chloro-1,2,2-triphenylethanone
CID 11301235
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
2,2-bis(4-chlorophenoxy)-1-phenylethanone
CID 54253239
4-chloro(13C)benzoic acid
CID 66995527
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone?
The IUPAC name of 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone (CID 18982559) is 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone is O=C(c1ccccc1)C(S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone?
The InChIKey is RNUOJKSNNZDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2OS/c21-17-10-6-15(7-11-17)20(24,16-8-12-18(22)13-9-16)19(23)14-4-2-1-3-5-14/h1-13,24H.
What are the key properties of 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone?
2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone has a molecular weight of 373.30 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-1-phenyl-2-sulfanylethanone is sourced from PubChem (CID 18982559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).