1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one

C19H22OS — CID 66087741

IUPAC1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
SMILESCc1cccc(SCC(=O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22OS/c1-13-6-5-7-18(10-13)21-12-17(20)11-19-15(3)8-14(2)9-16(19)4/h5-10H,11-12H2,1-4H3
InChIKeyYIEGCJGXUKTBNX-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.82
Rot. Bonds5

About 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one

1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one (PubChem CID 66087741) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
PubChem CID66087741
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
SMILESCc1cccc(SCC(=O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22OS/c1-13-6-5-7-18(10-13)21-12-17(20)11-19-15(3)8-14(2)9-16(19)4/h5-10H,11-12H2,1-4H3
InChIKeyYIEGCJGXUKTBNX-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 105405333
1-(3-methylphenyl)sulfanylpent-4-en-2-one
CID 66086575
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
1-(3-methylphenyl)sulfanylundecan-2-one
CID 66088123
1-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66086002
1-(4-amino-3-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66085997
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 104793476
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66065763
ethyl 5-(3-methylphenyl)sulfanyl-4-oxopentanoate
CID 66323173
1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 79746277
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one?
The IUPAC name of 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one (CID 66087741) is 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one?
The canonical SMILES for 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one is Cc1cccc(SCC(=O)Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one?
The InChIKey is YIEGCJGXUKTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS/c1-13-6-5-7-18(10-13)21-12-17(20)11-19-15(3)8-14(2)9-16(19)4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one?
1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one has a molecular weight of 298.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one is sourced from PubChem (CID 66087741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).