S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine

C12H17NS — CID 155118585

IUPACS-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine
SMILESC=Cc1cc(C(C)(C)C)ccc1SN
InChIInChI=1S/C12H17NS/c1-5-9-8-10(12(2,3)4)6-7-11(9)14-13/h5-8H,1,13H2,2-4H3
InChIKeyNOVGIVSQWLLPOX-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.59
Rot. Bonds2

About S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine

S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine (PubChem CID 155118585) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine
PubChem CID155118585
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameS-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine
SMILESC=Cc1cc(C(C)(C)C)ccc1SN
InChIInChI=1S/C12H17NS/c1-5-9-8-10(12(2,3)4)6-7-11(9)14-13/h5-8H,1,13H2,2-4H3
InChIKeyNOVGIVSQWLLPOX-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine?
The IUPAC name of S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine (CID 155118585) is S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine.
What is the SMILES notation for S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine?
The canonical SMILES for S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine is C=Cc1cc(C(C)(C)C)ccc1SN.
What is the InChIKey of S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine?
The InChIKey is NOVGIVSQWLLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-5-9-8-10(12(2,3)4)6-7-11(9)14-13/h5-8H,1,13H2,2-4H3.
What are the key properties of S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine?
S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine has a molecular weight of 207.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-tert-butyl-2-ethenylphenyl)thiohydroxylamine is sourced from PubChem (CID 155118585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).