N-but-1-en-2-ylthiohydroxylamine

C4H9NS — CID 89343017

IUPACN-but-1-en-2-ylthiohydroxylamine
SMILESC=C(CC)NS
InChIInChI=1S/C4H9NS/c1-3-4(2)5-6/h5-6H,2-3H2,1H3
InChIKeyIQHNWUXBFSQFMY-UHFFFAOYSA-N
MW103.19 g/mol
LogP1.34
Rot. Bonds2

About N-but-1-en-2-ylthiohydroxylamine

N-but-1-en-2-ylthiohydroxylamine (PubChem CID 89343017) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is N-but-1-en-2-ylthiohydroxylamine.

Molecular Properties

Compound NameN-but-1-en-2-ylthiohydroxylamine
PubChem CID89343017
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameN-but-1-en-2-ylthiohydroxylamine
SMILESC=C(CC)NS
InChIInChI=1S/C4H9NS/c1-3-4(2)5-6/h5-6H,2-3H2,1H3
InChIKeyIQHNWUXBFSQFMY-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-N'-but-1-en-2-ylethene-1,1-diamine
CID 166131853
N-but-1-en-2-yl-2-methylbutan-2-amine
CID 147849080
1-but-1-en-2-yl-2-propylhydrazine
CID 90268205
(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol
CID 121345273
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
N-but-1-en-2-ylbutanamide
CID 159787043
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-but-1-en-2-ylpyrrol-1-amine
CID 143453864
1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine
CID 146392587
(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
N-ethylthiohydroxylamine
CID 18653762
2-iodobut-1-ene
CID 14042947

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-ylthiohydroxylamine?
The IUPAC name of N-but-1-en-2-ylthiohydroxylamine (CID 89343017) is N-but-1-en-2-ylthiohydroxylamine.
What is the SMILES notation for N-but-1-en-2-ylthiohydroxylamine?
The canonical SMILES for N-but-1-en-2-ylthiohydroxylamine is C=C(CC)NS.
What is the InChIKey of N-but-1-en-2-ylthiohydroxylamine?
The InChIKey is IQHNWUXBFSQFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-3-4(2)5-6/h5-6H,2-3H2,1H3.
What are the key properties of N-but-1-en-2-ylthiohydroxylamine?
N-but-1-en-2-ylthiohydroxylamine has a molecular weight of 103.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-ylthiohydroxylamine is sourced from PubChem (CID 89343017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).