butyl N'-carbamimidoylcarbamimidothioate;hydrobromide

C6H15BrN4S — CID 176518902

IUPACbutyl N'-carbamimidoylcarbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)N=C(N)SCCCC
InChIInChI=1S/C6H14N4S.BrH/c1-2-3-4-11-6(9)10-5(7)8;/h2-4H2,1H3,(H5,7,8,9,10);1H
InChIKeyASJGSLCERBOZHC-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.31
Rot. Bonds3

About butyl N'-carbamimidoylcarbamimidothioate;hydrobromide

butyl N'-carbamimidoylcarbamimidothioate;hydrobromide (PubChem CID 176518902) has the molecular formula C6H15BrN4S and a molecular weight of 255.18 g/mol. Its IUPAC name is butyl N'-carbamimidoylcarbamimidothioate;hydrobromide.

Molecular Properties

Compound Namebutyl N'-carbamimidoylcarbamimidothioate;hydrobromide
PubChem CID176518902
Molecular FormulaC6H15BrN4S
Molecular Weight255.18 g/mol
Exact Mass254.02
IUPAC Namebutyl N'-carbamimidoylcarbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)N=C(N)SCCCC
InChIInChI=1S/C6H14N4S.BrH/c1-2-3-4-11-6(9)10-5(7)8;/h2-4H2,1H3,(H5,7,8,9,10);1H
InChIKeyASJGSLCERBOZHC-UHFFFAOYSA-N
XLogP1.31
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze butyl N'-carbamimidoylcarbamimidothioate;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'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrobromide
CID 173402410
hexyl carbamimidothioate;thiourea;hydrobromide
CID 159769059
CID 159121999
CID 159121999
2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
(N'-carbamimidoylcarbamimidoyl)-hexylazanium chloride
CID 20976
2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
CID 176518115
1-butan-2-ylideneguanidine
CID 161053722
2-butylsulfanylethanimidamide
CID 43615832
1-butyl-1-tert-butyl-2-carbamimidoylguanidine
CID 176525602
1,1-bis(butylsulfanyl)guanidine
CID 87544034
N'-carbamimidoylethanimidamide
CID 20603119

Frequently Asked Questions

What is the IUPAC name of butyl N'-carbamimidoylcarbamimidothioate;hydrobromide?
The IUPAC name of butyl N'-carbamimidoylcarbamimidothioate;hydrobromide (CID 176518902) is butyl N'-carbamimidoylcarbamimidothioate;hydrobromide.
What is the SMILES notation for butyl N'-carbamimidoylcarbamimidothioate;hydrobromide?
The canonical SMILES for butyl N'-carbamimidoylcarbamimidothioate;hydrobromide is Br.[H]/N=C(\N)N=C(N)SCCCC.
What is the InChIKey of butyl N'-carbamimidoylcarbamimidothioate;hydrobromide?
The InChIKey is ASJGSLCERBOZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S.BrH/c1-2-3-4-11-6(9)10-5(7)8;/h2-4H2,1H3,(H5,7,8,9,10);1H.
What are the key properties of butyl N'-carbamimidoylcarbamimidothioate;hydrobromide?
butyl N'-carbamimidoylcarbamimidothioate;hydrobromide has a molecular weight of 255.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N'-carbamimidoylcarbamimidothioate;hydrobromide is sourced from PubChem (CID 176518902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).