tert-butylsulfanyl-(4-methylphenyl)methaneselone

C12H16SSe — CID 10084546

IUPACtert-butylsulfanyl-(4-methylphenyl)methaneselone
SMILESCc1ccc(C(=[Se])SC(C)(C)C)cc1
InChIInChI=1S/C12H16SSe/c1-9-5-7-10(8-6-9)11(14)13-12(2,3)4/h5-8H,1-4H3
InChIKeyFOWMGLXEFZVKTK-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.17
Rot. Bonds2

About tert-butylsulfanyl-(4-methylphenyl)methaneselone

tert-butylsulfanyl-(4-methylphenyl)methaneselone (PubChem CID 10084546) has the molecular formula C12H16SSe and a molecular weight of 271.29 g/mol. Its IUPAC name is tert-butylsulfanyl-(4-methylphenyl)methaneselone.

Molecular Properties

Compound Nametert-butylsulfanyl-(4-methylphenyl)methaneselone
PubChem CID10084546
Molecular FormulaC12H16SSe
Molecular Weight271.29 g/mol
Exact Mass272.01
IUPAC Nametert-butylsulfanyl-(4-methylphenyl)methaneselone
SMILESCc1ccc(C(=[Se])SC(C)(C)C)cc1
InChIInChI=1S/C12H16SSe/c1-9-5-7-10(8-6-9)11(14)13-12(2,3)4/h5-8H,1-4H3
InChIKeyFOWMGLXEFZVKTK-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylsulfanyl-1,1-bis(4-methylphenyl)methanimine
CID 134999065
sodium 4-methylselenobenzate
CID 23712547
4-[(4-methylphenyl)disulfanyl]benzoic acid
CID 137384713
1-(2,2-dimethyl-1-sulfinylpropyl)-4-methylbenzene
CID 11735933
2-bromo-2-tert-butylsulfanyl-1-(4-methylphenyl)ethanone
CID 71318813
sodium 4-methylbenzoic acid
CID 164511663
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
(3S)-2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid
CID 175569643
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119

Frequently Asked Questions

What is the IUPAC name of tert-butylsulfanyl-(4-methylphenyl)methaneselone?
The IUPAC name of tert-butylsulfanyl-(4-methylphenyl)methaneselone (CID 10084546) is tert-butylsulfanyl-(4-methylphenyl)methaneselone.
What is the SMILES notation for tert-butylsulfanyl-(4-methylphenyl)methaneselone?
The canonical SMILES for tert-butylsulfanyl-(4-methylphenyl)methaneselone is Cc1ccc(C(=[Se])SC(C)(C)C)cc1.
What is the InChIKey of tert-butylsulfanyl-(4-methylphenyl)methaneselone?
The InChIKey is FOWMGLXEFZVKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16SSe/c1-9-5-7-10(8-6-9)11(14)13-12(2,3)4/h5-8H,1-4H3.
What are the key properties of tert-butylsulfanyl-(4-methylphenyl)methaneselone?
tert-butylsulfanyl-(4-methylphenyl)methaneselone has a molecular weight of 271.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfanyl-(4-methylphenyl)methaneselone is sourced from PubChem (CID 10084546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).