1-(carbamothioylamino)-1-ethyl-3-methylthiourea

C5H12N4S2 — CID 91723146

IUPAC1-(carbamothioylamino)-1-ethyl-3-methylthiourea
SMILESCCN(NC(N)=S)C(=S)NC
InChIInChI=1S/C5H12N4S2/c1-3-9(5(11)7-2)8-4(6)10/h3H2,1-2H3,(H,7,11)(H3,6,8,10)
InChIKeyBNETUOSJIUUXQG-UHFFFAOYSA-N
MW192.31 g/mol
LogP-0.44
Rot. Bonds1

About 1-(carbamothioylamino)-1-ethyl-3-methylthiourea

1-(carbamothioylamino)-1-ethyl-3-methylthiourea (PubChem CID 91723146) has the molecular formula C5H12N4S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(carbamothioylamino)-1-ethyl-3-methylthiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-1-ethyl-3-methylthiourea
PubChem CID91723146
Molecular FormulaC5H12N4S2
Molecular Weight192.31 g/mol
Exact Mass192.05
IUPAC Name1-(carbamothioylamino)-1-ethyl-3-methylthiourea
SMILESCCN(NC(N)=S)C(=S)NC
InChIInChI=1S/C5H12N4S2/c1-3-9(5(11)7-2)8-4(6)10/h3H2,1-2H3,(H,7,11)(H3,6,8,10)
InChIKeyBNETUOSJIUUXQG-UHFFFAOYSA-N
XLogP-0.44
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(carbamothioylamino)-1-ethyl-3-methylthiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-1-ethyl-3-methylthiourea?
The IUPAC name of 1-(carbamothioylamino)-1-ethyl-3-methylthiourea (CID 91723146) is 1-(carbamothioylamino)-1-ethyl-3-methylthiourea.
What is the SMILES notation for 1-(carbamothioylamino)-1-ethyl-3-methylthiourea?
The canonical SMILES for 1-(carbamothioylamino)-1-ethyl-3-methylthiourea is CCN(NC(N)=S)C(=S)NC.
What is the InChIKey of 1-(carbamothioylamino)-1-ethyl-3-methylthiourea?
The InChIKey is BNETUOSJIUUXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4S2/c1-3-9(5(11)7-2)8-4(6)10/h3H2,1-2H3,(H,7,11)(H3,6,8,10).
What are the key properties of 1-(carbamothioylamino)-1-ethyl-3-methylthiourea?
1-(carbamothioylamino)-1-ethyl-3-methylthiourea has a molecular weight of 192.31 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-1-ethyl-3-methylthiourea is sourced from PubChem (CID 91723146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).