2-(Methylthio)-1,3-benzothiazol-6-amine

Base Information

• Chemical Name: 2-(Methylthio)-1,3-benzothiazol-6-amine
• CAS No.: 25706-29-0
• Molecular Formula: C8H8N2S2
• Molecular Weight: 196.29
• Hs Code.: 2934200090
• European Community (EC) Number: 636-763-7
• NSC Number: 119961
• DSSTox Substance ID: DTXSID10297989
• Wikidata: Q82039526
• ChEMBL ID: CHEMBL5220238
• Mol file: 25706-29-0.mol

Synonyms:25706-29-0;2-(methylthio)-1,3-benzothiazol-6-amine;2-(methylthio)benzo[d]thiazol-6-amine;2-(methylsulfanyl)-1,3-benzothiazol-6-amine;2-Methylsulfanyl-benzothiazol-6-ylamine;2-methylsulfanyl-1,3-benzothiazol-6-amine;CHEMBL5220238;6-Amino-2-(methylthio)benzothiazole;NSC119961;Enamine_005325;SCHEMBL304698;DTXSID10297989;CHEBI:194909;GYCJZSAIEMSFAV-UHFFFAOYSA-N;HMS1409C01;BDBM50607373;MFCD00086478;AKOS000115537;NSC-119961;MS-22127;2-methylsulanyl-1,3-benzothiazol-6-amine;FT-0608847;6-AMINO-2-(METHYLTHIO)-BENZOTHIAZOLE;EN300-02272;AN-988/14198001;SR-01000435306;SR-01000435306-1;W-206975;Z56899035;F0913-0363

Chemical Property of 2-(Methylthio)-1,3-benzothiazol-6-amine

Chemical Property:

• Vapor Pressure: 3.79E-06mmHg at 25°C
• Melting Point: 105 °C
• Refractive Index: 1.734
• Boiling Point: 385.5 °C at 760 mmHg
• PKA: 3.07±0.10(Predicted)
• Flash Point: 186.9 °C
• PSA: 92.45000
• Density: 1.39 g/cm³
• LogP: 3.18160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.01289061
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

2-(Methylthio)-1,3-benzothiazol-6-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=C(S1)C=C(C=C2)N