Thiodicarb - ≥96% , CAS No.59669-26-0

CAS: 59669-26-0 Cat. No.: T109988 Formule: C₁₀H₁₈N₄O₄S₃ Poids moléculaire: 354.47 Numéro CE: 261-848-7 PubChem CID: 9601227

GRADE & PURITY ≥96%

Synonyms

AS-74993 | NCGC00163872-01 | (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylidene | THIODICARB | (E)-[1-(methylsulfanyl)ethylidene]amino N-methyl-N-{[(3E)-3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]sulfanyl}carbamate |

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonymes

AS-74993 | NCGC00163872-01 | (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylidene | THIODICARB | (E)-[1-(methylsulfanyl)ethylidene]amino N-methyl-N-{[(3E)-3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]sulfanyl}carbamate |

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Protected from light,Desiccated,Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

528774054

Sourires canoniques

CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC

IUPAC Name

methyl (1E)-N-[methyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate

InChIKey

XDOTVMNBCQVZKG-MKICQXMISA-N

INCHI

1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+

Isomères SMILES

C/C(=N\OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/SC

WGK Allemagne

3

RTECS

KJ4301050

PubChem CID

9601227

Numéro ONU

2757

Groupe d'emballage

I

Poids moléculaire

354.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Point de fusion (°C): 168-172°C
• Poids moléculaire: 354.500 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 354.049 Da
• Monoisotopic Mass: 354.049 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 393.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1