ethyl N'-cyclopropylcarbamimidothioate

C6H12N2S — CID 130634667

IUPACethyl N'-cyclopropylcarbamimidothioate
SMILESCCS/C(N)=N\C1CC1
InChIInChI=1S/C6H12N2S/c1-2-9-6(7)8-5-3-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyRLIDBJKLRMLMPB-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.22
Rot. Bonds2

About ethyl N'-cyclopropylcarbamimidothioate

ethyl N'-cyclopropylcarbamimidothioate (PubChem CID 130634667) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is ethyl N'-cyclopropylcarbamimidothioate.

Molecular Properties

Compound Nameethyl N'-cyclopropylcarbamimidothioate
PubChem CID130634667
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Nameethyl N'-cyclopropylcarbamimidothioate
SMILESCCS/C(N)=N\C1CC1
InChIInChI=1S/C6H12N2S/c1-2-9-6(7)8-5-3-4-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyRLIDBJKLRMLMPB-UHFFFAOYSA-N
XLogP1.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl N'-cyclopropylcarbamimidothioate 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 ethyl N'-cyclopropylcarbamimidothioate?
The IUPAC name of ethyl N'-cyclopropylcarbamimidothioate (CID 130634667) is ethyl N'-cyclopropylcarbamimidothioate.
What is the SMILES notation for ethyl N'-cyclopropylcarbamimidothioate?
The canonical SMILES for ethyl N'-cyclopropylcarbamimidothioate is CCS/C(N)=N\C1CC1.
What is the InChIKey of ethyl N'-cyclopropylcarbamimidothioate?
The InChIKey is RLIDBJKLRMLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-2-9-6(7)8-5-3-4-5/h5H,2-4H2,1H3,(H2,7,8).
What are the key properties of ethyl N'-cyclopropylcarbamimidothioate?
ethyl N'-cyclopropylcarbamimidothioate has a molecular weight of 144.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-cyclopropylcarbamimidothioate is sourced from PubChem (CID 130634667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).