N-(3-iminobutan-2-ylidene)thiohydroxylamine

C4H8N2S — CID 154537272

IUPACN-(3-iminobutan-2-ylidene)thiohydroxylamine
SMILES[H]/N=C(\C)C(C)=NS
InChIInChI=1S/C4H8N2S/c1-3(5)4(2)6-7/h5,7H,1-2H3/b5-3+,6-4?
InChIKeyCZAQXEBDEFAQNV-UHMKDZKBSA-N
MW116.19 g/mol
LogP1.33
Rot. Bonds1

About N-(3-iminobutan-2-ylidene)thiohydroxylamine

N-(3-iminobutan-2-ylidene)thiohydroxylamine (PubChem CID 154537272) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is N-(3-iminobutan-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound NameN-(3-iminobutan-2-ylidene)thiohydroxylamine
PubChem CID154537272
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC NameN-(3-iminobutan-2-ylidene)thiohydroxylamine
SMILES[H]/N=C(\C)C(C)=NS
InChIInChI=1S/C4H8N2S/c1-3(5)4(2)6-7/h5,7H,1-2H3/b5-3+,6-4?
InChIKeyCZAQXEBDEFAQNV-UHMKDZKBSA-N
XLogP1.33
TPSA36.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The IUPAC name of N-(3-iminobutan-2-ylidene)thiohydroxylamine (CID 154537272) is N-(3-iminobutan-2-ylidene)thiohydroxylamine.
What is the SMILES notation for N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The canonical SMILES for N-(3-iminobutan-2-ylidene)thiohydroxylamine is [H]/N=C(\C)C(C)=NS.
What is the InChIKey of N-(3-iminobutan-2-ylidene)thiohydroxylamine?
The InChIKey is CZAQXEBDEFAQNV-UHMKDZKBSA-N. The full InChI is InChI=1S/C4H8N2S/c1-3(5)4(2)6-7/h5,7H,1-2H3/b5-3+,6-4?.
What are the key properties of N-(3-iminobutan-2-ylidene)thiohydroxylamine?
N-(3-iminobutan-2-ylidene)thiohydroxylamine has a molecular weight of 116.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminobutan-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 154537272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).