N,N-Dimethylthiocarbamoyl Isothiocyanate CAS 30013-32-2
| CAS No. | 30013-32-2 |
| Molecular Formula | C4H6N2S3 |
| Molecular Weight | 178.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N,N-Dimethylthiocarbamoyl Isothiocyanate is closely related to a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N,N-Dimethylthiocarbamoyl Isothiocyanate (CAS 30013-32-2) is a high-purity analytical reference standard with the molecular formula C4H6N2S3 and a molecular weight of 178.30 g/mol.
Structurally, N,N-Dimethylthiocarbamoyl Isothiocyanate (C4H6N2S3) contains a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 178.30 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C4H6N2S3 |
| Molecular Weight | 178.30 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1965 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Recommended Standards
- Methoxy(methyl)(phenyl)(vinyl)silane (CAS 80252-60-4)
- Phenyl(trimethylsilyl)methanone (CAS 5908-41-8)
- 5-(Ethylsulfanyl)-1,3,4-thiadiazole-2-thiol (CAS 37147-15-2)
- Triethoxymethylsilane (CAS 2031-67-6)
- 2-(4-Aminopiperidin-1-yl)acetic acid dihydrochloride (CAS 90271-02-6)
- 2-Chloro-N-[5-(morpholine-4-sulfonyl)-2-(pyrrolidin-1-yl)phenyl]acetamide hydrochloride (CAS 1171052-28-0)
- SANT-1 (CAS 304909-07-7)
- Fosaprepitant Impurity 46 (CAS CATO-C4X-116846)
- (3-Aminocyclopentyl)dimethylphosphine oxide (CAS 2287316-25-8)
- (S)-4-isopropyl-2,3-dihydro-1H-inden-1-amine (CAS 1213137-02-0)
- 2-Cyclopentyl-2,2-difluoroacetic acid (CAS 1027513-89-8)
- 2-chloro-6-(2-chlorophenyl)pyridine (CAS 557111-94-1)
- 6-Bromo-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one (CAS 1224055-17-7)
- Semaglutide impurity 194 (CAS CATO-C4X-2226194)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com