2-[2-(carbamothioylamino)ethoxy]ethylthiourea

C6H14N4OS2 — CID 56622418

IUPAC2-[2-(carbamothioylamino)ethoxy]ethylthiourea
SMILESNC(=S)NCCOCCNC(N)=S
InChIInChI=1S/C6H14N4OS2/c7-5(12)9-1-3-11-4-2-10-6(8)13/h1-4H2,(H3,7,9,12)(H3,8,10,13)
InChIKeyOAVGLFRAWIUKPA-UHFFFAOYSA-N
MW222.34 g/mol
LogP-1.33
Rot. Bonds6

About 2-[2-(carbamothioylamino)ethoxy]ethylthiourea

2-[2-(carbamothioylamino)ethoxy]ethylthiourea (PubChem CID 56622418) has the molecular formula C6H14N4OS2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[2-(carbamothioylamino)ethoxy]ethylthiourea.

Molecular Properties

Compound Name2-[2-(carbamothioylamino)ethoxy]ethylthiourea
PubChem CID56622418
Molecular FormulaC6H14N4OS2
Molecular Weight222.34 g/mol
Exact Mass222.06
IUPAC Name2-[2-(carbamothioylamino)ethoxy]ethylthiourea
SMILESNC(=S)NCCOCCNC(N)=S
InChIInChI=1S/C6H14N4OS2/c7-5(12)9-1-3-11-4-2-10-6(8)13/h1-4H2,(H3,7,9,12)(H3,8,10,13)
InChIKeyOAVGLFRAWIUKPA-UHFFFAOYSA-N
XLogP-1.33
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(carbamothioylamino)ethoxy]ethylthiourea 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

3-[3-(carbamothioylamino)propoxy]propylthiourea
CID 88722493
2-chloroethylthiourea
CID 54089131
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
12-hydroxydodecylthiourea
CID 121377187
ethoxymethylthiourea
CID 23032458
3-[tert-butyl(dimethyl)silyl]oxypropylthiourea
CID 155592862
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
N'-(2-methoxyethyl)ethanedithioamide
CID 12684688
pentylthiourea;hydrochloride
CID 87769181
2-(carbamothioylamino)ethanesulfonic acid
CID 18341768
1-(2-butoxyethyl)-3-propylthiourea
CID 115595496
2-(3-oxobutoxy)ethylurea
CID 176664573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamothioylamino)ethoxy]ethylthiourea?
The IUPAC name of 2-[2-(carbamothioylamino)ethoxy]ethylthiourea (CID 56622418) is 2-[2-(carbamothioylamino)ethoxy]ethylthiourea.
What is the SMILES notation for 2-[2-(carbamothioylamino)ethoxy]ethylthiourea?
The canonical SMILES for 2-[2-(carbamothioylamino)ethoxy]ethylthiourea is NC(=S)NCCOCCNC(N)=S.
What is the InChIKey of 2-[2-(carbamothioylamino)ethoxy]ethylthiourea?
The InChIKey is OAVGLFRAWIUKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS2/c7-5(12)9-1-3-11-4-2-10-6(8)13/h1-4H2,(H3,7,9,12)(H3,8,10,13).
What are the key properties of 2-[2-(carbamothioylamino)ethoxy]ethylthiourea?
2-[2-(carbamothioylamino)ethoxy]ethylthiourea has a molecular weight of 222.34 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamothioylamino)ethoxy]ethylthiourea is sourced from PubChem (CID 56622418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).