2-hydroxyethyl N,N'-dibutylcarbamimidothioate

C11H24N2OS — CID 54333847

IUPAC2-hydroxyethyl N,N'-dibutylcarbamimidothioate
SMILESCCCC/N=C(/NCCCC)SCCO
InChIInChI=1S/C11H24N2OS/c1-3-5-7-12-11(15-10-9-14)13-8-6-4-2/h14H,3-10H2,1-2H3,(H,12,13)
InChIKeyTUBHQCZXSHGNGG-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.26
Rot. Bonds8

About 2-hydroxyethyl N,N'-dibutylcarbamimidothioate

2-hydroxyethyl N,N'-dibutylcarbamimidothioate (PubChem CID 54333847) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-hydroxyethyl N,N'-dibutylcarbamimidothioate.

Molecular Properties

Compound Name2-hydroxyethyl N,N'-dibutylcarbamimidothioate
PubChem CID54333847
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-hydroxyethyl N,N'-dibutylcarbamimidothioate
SMILESCCCC/N=C(/NCCCC)SCCO
InChIInChI=1S/C11H24N2OS/c1-3-5-7-12-11(15-10-9-14)13-8-6-4-2/h14H,3-10H2,1-2H3,(H,12,13)
InChIKeyTUBHQCZXSHGNGG-UHFFFAOYSA-N
XLogP2.26
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-hydroxyethyl N,N'-dibutylcarbamimidothioate 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

N'-(3-hydroxypropyl)-2-amino-2-thiazoline
CID 12064674
2-Ethylamino-5-hydroxymethyl-2-thiazoline
CID 129796243
1-fluoro-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylsulfanyl)propan-2-ol
CID 165600797
1-hydroxyethyl N,N'-dibutylcarbamimidothioate;hydrochloride
CID 20426805
2-hydroxyethyl N,N'-dibutylcarbamimidothioate;hydrochloride
CID 88695844
1-hydroxyethyl N,N'-dibutylcarbamimidothioate
CID 20426806
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propan-1-ol
CID 21821350
N-(3-ethoxypropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068309
N-(3-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43153352
N-(3-ethoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440023
N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440109
N-(4-methoxybutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61814583

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N,N'-dibutylcarbamimidothioate?
The IUPAC name of 2-hydroxyethyl N,N'-dibutylcarbamimidothioate (CID 54333847) is 2-hydroxyethyl N,N'-dibutylcarbamimidothioate.
What is the SMILES notation for 2-hydroxyethyl N,N'-dibutylcarbamimidothioate?
The canonical SMILES for 2-hydroxyethyl N,N'-dibutylcarbamimidothioate is CCCC/N=C(/NCCCC)SCCO.
What is the InChIKey of 2-hydroxyethyl N,N'-dibutylcarbamimidothioate?
The InChIKey is TUBHQCZXSHGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-5-7-12-11(15-10-9-14)13-8-6-4-2/h14H,3-10H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxyethyl N,N'-dibutylcarbamimidothioate?
2-hydroxyethyl N,N'-dibutylcarbamimidothioate has a molecular weight of 232.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N,N'-dibutylcarbamimidothioate is sourced from PubChem (CID 54333847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).