thian-2-yl-(2,4,6-trimethylphenyl)methanone

C15H20OS — CID 80594784

IUPACthian-2-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCCCS2)c(C)c1
InChIInChI=1S/C15H20OS/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-17-13/h8-9,13H,4-7H2,1-3H3
InChIKeyLILZYSIDZXOKBD-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.08
Rot. Bonds2

About thian-2-yl-(2,4,6-trimethylphenyl)methanone

thian-2-yl-(2,4,6-trimethylphenyl)methanone (PubChem CID 80594784) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is thian-2-yl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namethian-2-yl-(2,4,6-trimethylphenyl)methanone
PubChem CID80594784
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Namethian-2-yl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCCCS2)c(C)c1
InChIInChI=1S/C15H20OS/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-17-13/h8-9,13H,4-7H2,1-3H3
InChIKeyLILZYSIDZXOKBD-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
N-(2,4-dimethylphenyl)thiolane-2-carboxamide
CID 110857194
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
(4-bromophenyl)-(thian-2-yl)methanone
CID 80596285
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
N-(2-amino-4,5-dimethylphenyl)thiane-2-carboxamide
CID 80594405
(2,5-dibromophenyl)-(thian-2-yl)methanone
CID 114373349
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
(2-methylsulfanylphenyl)-(thian-2-yl)methanone
CID 80595138
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
(2-bromo-4-fluorophenyl)-(thian-2-yl)methanone
CID 80594695

Frequently Asked Questions

What is the IUPAC name of thian-2-yl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of thian-2-yl-(2,4,6-trimethylphenyl)methanone (CID 80594784) is thian-2-yl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for thian-2-yl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for thian-2-yl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCCCS2)c(C)c1.
What is the InChIKey of thian-2-yl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is LILZYSIDZXOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-10-8-11(2)14(12(3)9-10)15(16)13-6-4-5-7-17-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of thian-2-yl-(2,4,6-trimethylphenyl)methanone?
thian-2-yl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 248.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thian-2-yl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 80594784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).