(1R)-(-)-Thiocamphor - ≥97%(GC) , CAS No.53402-10-1

CAS: 53402-10-1 Cat. No.: R160950 Formula: C₁₀H₁₆S Peso molecolare: 168.3 Beilstein Registry Number: 7(3)419 Numero EC: 677-582-3 PubChem CID: 1714210

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD00074855 | thiocamphor | (1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thione, AldrichCPR | DB02851 | J-502297 | SCHEMBL20138537 | (R)-thiocamphor | BS-22440 | Thiocampher | (1R)-(-)-Thiocamphor | Q27093814 | (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

MFCD00074855 | thiocamphor | (1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thione, AldrichCPR | DB02851 | J-502297 | SCHEMBL20138537 | (R)-thiocamphor | BS-22440 | Thiocampher | (1R)-(-)-Thiocamphor | Q27093814 | (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

• Sorrisi canonici: CC1(C2CCC1(C(=S)C2)C)C
• IUPAC Name: (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
• InChIKey: AAADKYXUTOBAGS-XCBNKYQSSA-N
• INCHI: 1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
• Isomeri SMILES: C[C@@]12CC[C@@H](C1(C)C)CC2=S
• PubChem CID: 1714210
• Peso molecolare: 168.3
• Beilstein: 7(3)419
• Reaxy-Rn: 4230673

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Thioketones Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Bornane monoterpenoid - Thioketone - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

Proprietà chimiche e fisiche

• Rotazione specifica [α]: -21° (C=3,EtOAc)
• Punto di fusione (°C): 137 °C
• Peso molecolare: 168.300 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.097 Da
• Monoisotopic Mass: 168.097 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53402-10-1, the molecular formula is C10H16S, and the molecular weight is 168.3 g/mol. InChIKey AAADKYXUTOBAGS-XCBNKYQSSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.