butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide

C6H15BrN4S — CID 173402410

IUPACbutyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide
SMILESBr.CCCCS/C(N)=N/C=N\N
InChIInChI=1S/C6H14N4S.BrH/c1-2-3-4-11-6(7)9-5-10-8;/h5H,2-4,8H2,1H3,(H2,7,9,10);1H
InChIKeySCJDGNVVSRLVLP-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.31
Rot. Bonds4

About butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide

butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide (PubChem CID 173402410) has the molecular formula C6H15BrN4S and a molecular weight of 255.18 g/mol. Its IUPAC name is butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide.

Molecular Properties

Compound Namebutyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide
PubChem CID173402410
Molecular FormulaC6H15BrN4S
Molecular Weight255.18 g/mol
Exact Mass254.02
IUPAC Namebutyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide
SMILESBr.CCCCS/C(N)=N/C=N\N
InChIInChI=1S/C6H14N4S.BrH/c1-2-3-4-11-6(7)9-5-10-8;/h5H,2-4,8H2,1H3,(H2,7,9,10);1H
InChIKeySCJDGNVVSRLVLP-UHFFFAOYSA-N
XLogP1.31
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl N'-carbamimidoylcarbamimidothioate;hydrobromide
CID 176518902
4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate
CID 54603017
3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate
CID 5473868
CID 159121999
CID 159121999
[amino(butylsulfanyl)methylidene]-diethylazanium chloride
CID 159882133
4-[(E)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate;dihydroiodide
CID 131882361
propyl N'-(propan-2-ylideneamino)carbamimidothioate
CID 6835460
2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
N'-pentylpropanimidamide
CID 62047571
N'-hexylpropanimidamide
CID 62048653
heptyl carbamodithioate
CID 3738854
butylsulfanyl(propylsulfanyl)methanone
CID 101135926

Frequently Asked Questions

What is the IUPAC name of butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide?
The IUPAC name of butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide (CID 173402410) is butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide.
What is the SMILES notation for butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide?
The canonical SMILES for butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide is Br.CCCCS/C(N)=N/C=N\N.
What is the InChIKey of butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide?
The InChIKey is SCJDGNVVSRLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S.BrH/c1-2-3-4-11-6(7)9-5-10-8;/h5H,2-4,8H2,1H3,(H2,7,9,10);1H.
What are the key properties of butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide?
butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide has a molecular weight of 255.18 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide is sourced from PubChem (CID 173402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).