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95-35-2 | Urea, N,N'-bis[(2-benzothiazolylthio)methyl]-
CAS No: 95-35-2 Catalog No: AG01DOA9 MDL No:MFCD00047256
Product Description
Catalog Number:
AG01DOA9
Chemical Name:
Urea, N,N'-bis[(2-benzothiazolylthio)methyl]-
CAS Number:
95-35-2
MDL Number:
MFCD00047256
IUPAC Name:
1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea
InChI:
InChI=1S/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)
InChI Key:
WYHIYIVTCWNVCW-UHFFFAOYSA-N
EC Number:
202-412-8
UNII:
0214C2T14J
NSC Number:
4826
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.005g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.566g/mol
Monoisotopic Mass:
418.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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