1,3-Bis(benzothiazol-2-ylthiomethyl)urea

Base Information

• Chemical Name: 1,3-Bis(benzothiazol-2-ylthiomethyl)urea
• CAS No.: 95-35-2
• Molecular Formula: C17H14 N4 O S4
• Molecular Weight: 418.59
• European Community (EC) Number: 202-412-8
• NSC Number: 4826
• UNII: 0214C2T14J
• DSSTox Substance ID: DTXSID3024607
• Nikkaji Number: J49.085G
• Wikidata: Q27231471
• Mol file: 95-35-2.mol

Synonyms:95-35-2;1,3-Bis(benzothiazol-2-ylthiomethyl)urea;EL 60;1,3-Bis(2-benzothiazolemercaptomethyl)urea;1,3-Bis((2-benzothiazolylthio)methyl)urea;N,N'-Bis(2-benzothiazolylthiomethylene)urea;NSC 4826;EINECS 202-412-8;Urea, N,N'-bis((2-benzothiazolylthio)methyl)-;Urea, N,N'-bis[(2-benzothiazolylthio)methyl]-;1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea;UNII-0214C2T14J;NSC-4826;Urea, 1,3-bis(((2-benzothiazolyl)mercapto)methyl)-;0214C2T14J;Urea, 1,3-bis(2-benzothiazolylthiomethyl)-;1,3-Bis(2-benzothiazolyl-mercaptomethyl)urea;64216-20-2;C17H14N4OS4;SCHEMBL181289;DTXSID3024607;NSC4826;EL-60;C17-H14-N4-O-S4;DIBENZOTHIAZYLDIMETHYLTHIOLUREA;LS-158969;Urea,3-bis[(2-benzothiazolylthio)methyl]-;FT-0705082;Urea,N'-bis[(2-benzothiazolylthio)methyl]-;1,3-bis(benzothiazol-2-ylthiomethyl)urinstof;1,3-Bis[[((2-benzothiazolyl)thio]methyl]urea;1,3-bis((benzo[d]thiazol-2-ylthio)methyl)urea;1,3-Bis(2-benzothiazolyl-mercaptomethyl)urea,tech;N,N'-bis[(1,3-benzothiazol-2-ylthio)methyl]urea;N,N'-Bis[[(2-benzothiazolyl)thio]methylene]urea;Urea,3-bis[[(2-benzothiazolyl)mercapto]methyl]-;WLN: T56 BN DSJ CS1MVM1S- CT56 BN DSJ;Q27231471;UREA, 1,3-BIS((2-BENZOTHIAZOLYLTHIO)METHYL)-;1,3-Di(2-benzothiazolyl)-1,3-bis(mercaptomethyl)-urea;N,N'-Bis[(1,3-benzothiazol-2-ylsulfanyl)methyl]urea #

Chemical Property of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea

Chemical Property:

• Refractive Index: 1.6440 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 173.99000
• Density: 1.53g/cm³
• LogP: 5.78640
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 418.00504578
• Heavy Atom Count: 26
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

1,3-BIS[(2-BENZOTHIAZOYLMERCAPTO)METHYL]UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SCNC(=O)NCSC3=NC4=CC=CC=C4S3