(4-tert-butyl-2-methylphenyl) thiohypochlorite

C11H15ClS — CID 21491451

IUPAC(4-tert-butyl-2-methylphenyl) thiohypochlorite
SMILESCc1cc(C(C)(C)C)ccc1SCl
InChIInChI=1S/C11H15ClS/c1-8-7-9(11(2,3)4)5-6-10(8)13-12/h5-7H,1-4H3
InChIKeyXONAQPUPCQQLPU-UHFFFAOYSA-N
MW214.76 g/mol
LogP4.54
Rot. Bonds1

About (4-tert-butyl-2-methylphenyl) thiohypochlorite

(4-tert-butyl-2-methylphenyl) thiohypochlorite (PubChem CID 21491451) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is (4-tert-butyl-2-methylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(4-tert-butyl-2-methylphenyl) thiohypochlorite
PubChem CID21491451
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name(4-tert-butyl-2-methylphenyl) thiohypochlorite
SMILESCc1cc(C(C)(C)C)ccc1SCl
InChIInChI=1S/C11H15ClS/c1-8-7-9(11(2,3)4)5-6-10(8)13-12/h5-7H,1-4H3
InChIKeyXONAQPUPCQQLPU-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-methyl-1-phenylsulfanylbenzene
CID 134392387
4-tert-butyl-1-methyl-2-(trifluoromethylsulfanyl)benzene
CID 151565687
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
5-tert-butyl-2-methylaniline
CID 13089979
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanol
CID 116863579
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanamine
CID 116937590
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
2-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]-1,3-dichlorobenzene
CID 4534728
4-tert-butyl-2-methyl-1-prop-1-ynylbenzene
CID 173394567
2,4-ditert-butyl-1-(dichloromethyl)benzene
CID 164523790
1-(4-tert-butyl-2-methylphenyl)-1-propan-2-ylhydrazine
CID 170213915

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-methylphenyl) thiohypochlorite?
The IUPAC name of (4-tert-butyl-2-methylphenyl) thiohypochlorite (CID 21491451) is (4-tert-butyl-2-methylphenyl) thiohypochlorite.
What is the SMILES notation for (4-tert-butyl-2-methylphenyl) thiohypochlorite?
The canonical SMILES for (4-tert-butyl-2-methylphenyl) thiohypochlorite is Cc1cc(C(C)(C)C)ccc1SCl.
What is the InChIKey of (4-tert-butyl-2-methylphenyl) thiohypochlorite?
The InChIKey is XONAQPUPCQQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClS/c1-8-7-9(11(2,3)4)5-6-10(8)13-12/h5-7H,1-4H3.
What are the key properties of (4-tert-butyl-2-methylphenyl) thiohypochlorite?
(4-tert-butyl-2-methylphenyl) thiohypochlorite has a molecular weight of 214.76 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-methylphenyl) thiohypochlorite is sourced from PubChem (CID 21491451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).