S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate

C15H25NO2S — CID 174931571

IUPACS-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
SMILESCC(C)(C)SN.CC(C)OC(=O)Cc1ccccc1
InChIInChI=1S/C11H14O2.C4H11NS/c1-9(2)13-11(12)8-10-6-4-3-5-7-10;1-4(2,3)6-5/h3-7,9H,8H2,1-2H3;5H2,1-3H3
InChIKeyZHJVSBZCKQBMMI-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.57
Rot. Bonds3

About S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate

S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate (PubChem CID 174931571) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate.

Molecular Properties

Compound NameS-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
PubChem CID174931571
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameS-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
SMILESCC(C)(C)SN.CC(C)OC(=O)Cc1ccccc1
InChIInChI=1S/C11H14O2.C4H11NS/c1-9(2)13-11(12)8-10-6-4-3-5-7-10;1-4(2,3)6-5/h3-7,9H,8H2,1-2H3;5H2,1-3H3
InChIKeyZHJVSBZCKQBMMI-UHFFFAOYSA-N
XLogP3.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
1-bromoethyl 2-phenylacetate
CID 22386448
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
(4-fluoro-3-hydroxybutan-2-yl) 2-phenylacetate
CID 54393447
propan-2-yl 2-(4-nitrophenyl)acetate
CID 86145562
3-methylbutyl 2-phenylacetate
CID 7600
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
3-amino-4-tert-butylsulfanyl-1-phenylbutan-2-one
CID 71046943

Frequently Asked Questions

What is the IUPAC name of S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate?
The IUPAC name of S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate (CID 174931571) is S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate.
What is the SMILES notation for S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate?
The canonical SMILES for S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate is CC(C)(C)SN.CC(C)OC(=O)Cc1ccccc1.
What is the InChIKey of S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate?
The InChIKey is ZHJVSBZCKQBMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C4H11NS/c1-9(2)13-11(12)8-10-6-4-3-5-7-10;1-4(2,3)6-5/h3-7,9H,8H2,1-2H3;5H2,1-3H3.
What are the key properties of S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate?
S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate has a molecular weight of 283.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate is sourced from PubChem (CID 174931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).