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21325-19-9 | UREA, 1-(2-METHYL-5-BENZOTHIAZOLYL)-2-THIO-
CAS No: 21325-19-9 Catalog No: AG007QT3 MDL No:
Product Description
Catalog Number:
AG007QT3
Chemical Name:
UREA, 1-(2-METHYL-5-BENZOTHIAZOLYL)-2-THIO-
CAS Number:
21325-19-9
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
IUPAC Name:
(2-methyl-1,3-benzothiazol-5-yl)thiourea
InChI:
InChI=1S/C9H9N3S2/c1-5-11-7-4-6(12-9(10)13)2-3-8(7)14-5/h2-4H,1H3,(H3,10,12,13)
InChI Key:
YBZGFQMJZQQCKH-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc2c(c1)nc(s2)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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