S-but-2-ynylthiohydroxylamine

C4H7NS — CID 146509411

IUPACS-but-2-ynylthiohydroxylamine
SMILESCC#CCSN
InChIInChI=1S/C4H7NS/c1-2-3-4-6-5/h4-5H2,1H3
InChIKeyVRJUGUMSKVVZII-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.62
Rot. Bonds1

About S-but-2-ynylthiohydroxylamine

S-but-2-ynylthiohydroxylamine (PubChem CID 146509411) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is S-but-2-ynylthiohydroxylamine.

Molecular Properties

Compound NameS-but-2-ynylthiohydroxylamine
PubChem CID146509411
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC NameS-but-2-ynylthiohydroxylamine
SMILESCC#CCSN
InChIInChI=1S/C4H7NS/c1-2-3-4-6-5/h4-5H2,1H3
InChIKeyVRJUGUMSKVVZII-UHFFFAOYSA-N
XLogP0.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-but-2-ynylthiohydroxylamine?
The IUPAC name of S-but-2-ynylthiohydroxylamine (CID 146509411) is S-but-2-ynylthiohydroxylamine.
What is the SMILES notation for S-but-2-ynylthiohydroxylamine?
The canonical SMILES for S-but-2-ynylthiohydroxylamine is CC#CCSN.
What is the InChIKey of S-but-2-ynylthiohydroxylamine?
The InChIKey is VRJUGUMSKVVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-2-3-4-6-5/h4-5H2,1H3.
What are the key properties of S-but-2-ynylthiohydroxylamine?
S-but-2-ynylthiohydroxylamine has a molecular weight of 101.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-but-2-ynylthiohydroxylamine is sourced from PubChem (CID 146509411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).