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121690-17-3 | Urea, N-(2,3-dihydro-2-thioxo-6-benzothiazolyl)-
CAS No: 121690-17-3 Catalog No: AG0015KX MDL No:
Product Description
Catalog Number:
AG0015KX
Chemical Name:
Urea, N-(2,3-dihydro-2-thioxo-6-benzothiazolyl)-
CAS Number:
121690-17-3
Molecular Formula:
C8H7N3OS2
Molecular Weight:
225.2907
IUPAC Name:
(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea
InChI:
InChI=1S/C8H7N3OS2/c9-7(12)10-4-1-2-5-6(3-4)14-8(13)11-5/h1-3H,(H,11,13)(H3,9,10,12)
InChI Key:
WTJGOKVZNIJVLZ-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc2c(c1)sc(=S)[nH]2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.284g/mol
Monoisotopic Mass:
225.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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