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Molecule
N-(4,5-Dihydro-2-Thiazolyl)Cyanamide
CAS: 26364-65-8 · C4H5N3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26364-65-8
- Molecular Formula
- C4H5N3S
- Molecular Mass
- 127.17 g/mol
Identifiers
CAS Registry Number
26364-65-8
SMILES
N#CNC1=NCCS1
InChI Key
WTUAWWLVVCGTRG-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h1-2H2,(H,6,7)
Names and Synonyms
- N-(4,5-Dihydro-2-Thiazolyl)Cyanamide Synonym
- Cyanamide, N-(4,5-dihydro-2-thiazolyl)- Synonym
- Δ2,N-Thiazolidinecarbamonitrile Synonym
- Cyanamide, (4,5-dihydro-2-thiazolyl)- Synonym
- N-(4,5-Dihydro-2-thiazolyl)cyanamide Synonym
- 2-Thiazolidinylidenecyanamide Synonym
- 2-(Cyanoimino)thiazolidine Synonym
- 2-Cyanoimino-1,3-thiazolidine Synonym
- N-Cyanoiminothiazolidine Synonym
- [(4,5-Dihydro-1,3-thiazol-2-yl)amino]formonitrile Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.17 g/mol | CAS Common Chemistry |
| 127.172 g/mol | RDKit | |
| 127.165 g/mol | chempirical lib | |
| Canonical SMILES | N#CNC1=NCCS1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h1-2H2,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=WTUAWWLVVCGTRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156-157 °C @ Solvent: Ethanol, Water | CAS Common Chemistry |
| Name | N-(4,5-Dihydro-2-thiazolyl)cyanamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 48.18 Ų | RDKit |
| LogP | 0.15987999999999997 | RDKit |
| 0.1599 | RDKit | |
| Molar Refractivity | 33.508700000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 127.02041815999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 127.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H5N3S.
