1. nom et identifiant
- 1.1 Nom du produit
- isothiocyanic acid
- 1.2 synonymes
- isothiocyanic acid;isorhodanic acid;isosulfocyanic acid;Hydrogen isothiocyanate;Isothiocyanic acid [forbidden]
- 1.3 CAS No.
- 3129-90-6
- 1.4 CID
- 62481
- 1.5 Formule moléculaire
- HNCS
- 1.6 Inchi
- InChI=1S/CHNS/c2-1-3/h2H
- 1.7 InchiKey
- GRHBQAYDJPGGLF-UHFFFAOYSA-N
- 1.8 Canonique SMILES
- C(=N)=S
- 1.9 Isomérique SMILES
- C(=N)=S
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Route synthétique
3129-90-6Total: 8 Route synthétique
4. Précurseurs et produits
5. données chimiques calculées
- Molecular Weight：59.086g/mol
- Molecular Formula：CHNS
- Compound Is Canonicalized：False
- Exact Mass：1.6
- XLogP3-AA：58.98297021
- Monoisotopic Mass：58.98297021
- Complexity：27.8
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：1
- Hydrogen Bond Acceptor Count：2
- Topological Polar Surface Area：55.9
- Heavy Atom Count：：3
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADcQACAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAAAAABAAAAkAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. informations réelles sur le produit
FR
