N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine

C6H11NS — CID 158484748

IUPACN-(4-methylpent-3-en-2-ylidene)thiohydroxylamine
SMILESCC(C)=CC(C)=NS
InChIInChI=1S/C6H11NS/c1-5(2)4-6(3)7-8/h4,8H,1-3H3
InChIKeyCBJSHZMDLUROBI-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.26
Rot. Bonds1

About N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine

N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine (PubChem CID 158484748) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine.

Molecular Properties

Compound NameN-(4-methylpent-3-en-2-ylidene)thiohydroxylamine
PubChem CID158484748
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(4-methylpent-3-en-2-ylidene)thiohydroxylamine
SMILESCC(C)=CC(C)=NS
InChIInChI=1S/C6H11NS/c1-5(2)4-6(3)7-8/h4,8H,1-3H3
InChIKeyCBJSHZMDLUROBI-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(4-methylpent-3-en-2-ylidene)thiohydroxylamine?
The IUPAC name of N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine (CID 158484748) is N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine.
What is the SMILES notation for N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine?
The canonical SMILES for N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine is CC(C)=CC(C)=NS.
What is the InChIKey of N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine?
The InChIKey is CBJSHZMDLUROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)4-6(3)7-8/h4,8H,1-3H3.
What are the key properties of N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine?
N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine has a molecular weight of 129.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine is sourced from PubChem (CID 158484748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).