bis(4-propan-2-ylsulfanylphenyl)methanone

C19H22OS2 — CID 134098559

IUPACbis(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)c2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C19H22OS2/c1-13(2)21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14(3)4/h5-14H,1-4H3
InChIKeyNVYMVZQEJWQVFE-UHFFFAOYSA-N
MW330.52 g/mol
LogP5.92
Rot. Bonds6

About bis(4-propan-2-ylsulfanylphenyl)methanone

bis(4-propan-2-ylsulfanylphenyl)methanone (PubChem CID 134098559) has the molecular formula C19H22OS2 and a molecular weight of 330.52 g/mol. Its IUPAC name is bis(4-propan-2-ylsulfanylphenyl)methanone.

Molecular Properties

Compound Namebis(4-propan-2-ylsulfanylphenyl)methanone
PubChem CID134098559
Molecular FormulaC19H22OS2
Molecular Weight330.52 g/mol
Exact Mass330.11
IUPAC Namebis(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)c2ccc(SC(C)C)cc2)cc1
InChIInChI=1S/C19H22OS2/c1-13(2)21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14(3)4/h5-14H,1-4H3
InChIKeyNVYMVZQEJWQVFE-UHFFFAOYSA-N
XLogP5.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl-(4-propan-2-ylsulfanylphenyl)methanone
CID 11197546
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
3-bromo-1-(4-propan-2-ylsulfanylphenyl)propane-1,2-dione
CID 116822764
1-(4-propan-2-ylsulfanylphenyl)pentan-1-one
CID 82164783
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 116921275
2-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800282
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
4-propan-2-ylsulfanylbenzenesulfinic acid
CID 82471686

Frequently Asked Questions

What is the IUPAC name of bis(4-propan-2-ylsulfanylphenyl)methanone?
The IUPAC name of bis(4-propan-2-ylsulfanylphenyl)methanone (CID 134098559) is bis(4-propan-2-ylsulfanylphenyl)methanone.
What is the SMILES notation for bis(4-propan-2-ylsulfanylphenyl)methanone?
The canonical SMILES for bis(4-propan-2-ylsulfanylphenyl)methanone is CC(C)Sc1ccc(C(=O)c2ccc(SC(C)C)cc2)cc1.
What is the InChIKey of bis(4-propan-2-ylsulfanylphenyl)methanone?
The InChIKey is NVYMVZQEJWQVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS2/c1-13(2)21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14(3)4/h5-14H,1-4H3.
What are the key properties of bis(4-propan-2-ylsulfanylphenyl)methanone?
bis(4-propan-2-ylsulfanylphenyl)methanone has a molecular weight of 330.52 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-propan-2-ylsulfanylphenyl)methanone is sourced from PubChem (CID 134098559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).