4-Methylbenzenesulfonic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) carbamimidothioate

Base Information

• Chemical Name: 4-Methylbenzenesulfonic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) carbamimidothioate
• CAS No.: 6267-49-8
• Molecular Formula: C18H28N2O3S2
• Molecular Weight: 384.5565
• NSC Number: 34553
• DSSTox Substance ID: DTXSID90978249
• ChEMBL ID: CHEMBL1893397

Synonyms:MLS002607889;6267-49-8;NSC34553;CHEMBL1893397;DTXSID90978249;HMS3078K16;NSC-34553;SMR001526651;1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL IMIDOTHIOCARBAMATE 4-METHYLBENZENESULFONATE;4-Methylbenzene-1-sulfonic acid--1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl carbamimidothioate (1/1)

Chemical Property of 4-Methylbenzenesulfonic acid;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) carbamimidothioate

Chemical Property:

• Vapor Pressure: 0.00198mmHg at 25°C
• Boiling Point: 291.2°Cat760mmHg
• Flash Point: 129.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 384.15413511
• Heavy Atom Count: 25
• Complexity: 481

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1(C(C2)SC(=N)N)C)C

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