S-tert-butylthiohydroxylamine

C4H11NS — CID 14664406

IUPACS-tert-butylthiohydroxylamine
SMILESCC(C)(C)SN
InChIInChI=1S/C4H11NS/c1-4(2,3)6-5/h5H2,1-3H3
InChIKeyVKJVXYWGRYQADR-UHFFFAOYSA-N
MW105.21 g/mol
LogP1.39
Rot. Bonds

About S-tert-butylthiohydroxylamine

S-tert-butylthiohydroxylamine (PubChem CID 14664406) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is S-tert-butylthiohydroxylamine.

Molecular Properties

Compound NameS-tert-butylthiohydroxylamine
PubChem CID14664406
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC NameS-tert-butylthiohydroxylamine
SMILESCC(C)(C)SN
InChIInChI=1S/C4H11NS/c1-4(2,3)6-5/h5H2,1-3H3
InChIKeyVKJVXYWGRYQADR-UHFFFAOYSA-N
XLogP1.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 51.39
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-tert-butylthiohydroxylamine?
The IUPAC name of S-tert-butylthiohydroxylamine (CID 14664406) is S-tert-butylthiohydroxylamine.
What is the SMILES notation for S-tert-butylthiohydroxylamine?
The canonical SMILES for S-tert-butylthiohydroxylamine is CC(C)(C)SN.
What is the InChIKey of S-tert-butylthiohydroxylamine?
The InChIKey is VKJVXYWGRYQADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(2,3)6-5/h5H2,1-3H3.
What are the key properties of S-tert-butylthiohydroxylamine?
S-tert-butylthiohydroxylamine has a molecular weight of 105.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-tert-butylthiohydroxylamine is sourced from PubChem (CID 14664406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).