S-[(Z)-but-1-enyl]thiohydroxylamine

C4H9NS — CID 156570499

IUPACS-[(Z)-but-1-enyl]thiohydroxylamine
SMILESCC/C=C\SN
InChIInChI=1S/C4H9NS/c1-2-3-4-6-5/h3-4H,2,5H2,1H3/b4-3-
InChIKeyZFMWTRHXTMEOKQ-ARJAWSKDSA-N
MW103.19 g/mol
LogP1.52
Rot. Bonds2

About S-[(Z)-but-1-enyl]thiohydroxylamine

S-[(Z)-but-1-enyl]thiohydroxylamine (PubChem CID 156570499) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is S-[(Z)-but-1-enyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(Z)-but-1-enyl]thiohydroxylamine
PubChem CID156570499
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameS-[(Z)-but-1-enyl]thiohydroxylamine
SMILESCC/C=C\SN
InChIInChI=1S/C4H9NS/c1-2-3-4-6-5/h3-4H,2,5H2,1H3/b4-3-
InChIKeyZFMWTRHXTMEOKQ-ARJAWSKDSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 51.52
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-[(Z)-but-1-enyl]thiohydroxylamine?
The IUPAC name of S-[(Z)-but-1-enyl]thiohydroxylamine (CID 156570499) is S-[(Z)-but-1-enyl]thiohydroxylamine.
What is the SMILES notation for S-[(Z)-but-1-enyl]thiohydroxylamine?
The canonical SMILES for S-[(Z)-but-1-enyl]thiohydroxylamine is CC/C=C\SN.
What is the InChIKey of S-[(Z)-but-1-enyl]thiohydroxylamine?
The InChIKey is ZFMWTRHXTMEOKQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9NS/c1-2-3-4-6-5/h3-4H,2,5H2,1H3/b4-3-.
What are the key properties of S-[(Z)-but-1-enyl]thiohydroxylamine?
S-[(Z)-but-1-enyl]thiohydroxylamine has a molecular weight of 103.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-but-1-enyl]thiohydroxylamine is sourced from PubChem (CID 156570499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).