1-carbamothioyl-3-phenylthiourea

C8H9N3S2 — CID 3032513

IUPAC1-carbamothioyl-3-phenylthiourea
SMILESNC(=S)NC(=S)Nc1ccccc1
InChIInChI=1S/C8H9N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)
InChIKeyGMUKQAHDARHRTC-UHFFFAOYSA-N
MW211.32 g/mol
LogP1.22
Rot. Bonds1

About 1-carbamothioyl-3-phenylthiourea

1-carbamothioyl-3-phenylthiourea (PubChem CID 3032513) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is 1-carbamothioyl-3-phenylthiourea.

Molecular Properties

Compound Name1-carbamothioyl-3-phenylthiourea
PubChem CID3032513
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC Name1-carbamothioyl-3-phenylthiourea
SMILESNC(=S)NC(=S)Nc1ccccc1
InChIInChI=1S/C8H9N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13)
InChIKeyGMUKQAHDARHRTC-UHFFFAOYSA-N
XLogP1.22
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-3-phenylthiourea 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-carbamothioyl-3-phenylthiourea?
The IUPAC name of 1-carbamothioyl-3-phenylthiourea (CID 3032513) is 1-carbamothioyl-3-phenylthiourea.
What is the SMILES notation for 1-carbamothioyl-3-phenylthiourea?
The canonical SMILES for 1-carbamothioyl-3-phenylthiourea is NC(=S)NC(=S)Nc1ccccc1.
What is the InChIKey of 1-carbamothioyl-3-phenylthiourea?
The InChIKey is GMUKQAHDARHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12,13).
What are the key properties of 1-carbamothioyl-3-phenylthiourea?
1-carbamothioyl-3-phenylthiourea has a molecular weight of 211.32 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-phenylthiourea is sourced from PubChem (CID 3032513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).