cyclopropylmethylthiourea

C5H10N2S — CID 2795339

IUPACcyclopropylmethylthiourea
SMILESNC(=S)NCC1CC1
InChIInChI=1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)
InChIKeyBHJTYNJTDMRWOT-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.23
Rot. Bonds2

About cyclopropylmethylthiourea

cyclopropylmethylthiourea (PubChem CID 2795339) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is cyclopropylmethylthiourea.

Molecular Properties

Compound Namecyclopropylmethylthiourea
PubChem CID2795339
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Namecyclopropylmethylthiourea
SMILESNC(=S)NCC1CC1
InChIInChI=1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)
InChIKeyBHJTYNJTDMRWOT-UHFFFAOYSA-N
XLogP0.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopropylmethylthiourea 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 cyclopropylmethylthiourea?
The IUPAC name of cyclopropylmethylthiourea (CID 2795339) is cyclopropylmethylthiourea.
What is the SMILES notation for cyclopropylmethylthiourea?
The canonical SMILES for cyclopropylmethylthiourea is NC(=S)NCC1CC1.
What is the InChIKey of cyclopropylmethylthiourea?
The InChIKey is BHJTYNJTDMRWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8).
What are the key properties of cyclopropylmethylthiourea?
cyclopropylmethylthiourea has a molecular weight of 130.22 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylthiourea is sourced from PubChem (CID 2795339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).