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3683-63-4 | 1-(3-Methyl-5-isothiazolyl)ethanone thiosemicarbazone
CAS No: 3683-63-4 Catalog No: AG00CZT4 MDL No:
Product Description
Catalog Number:
AG00CZT4
Chemical Name:
1-(3-Methyl-5-isothiazolyl)ethanone thiosemicarbazone
CAS Number:
3683-63-4
IUPAC Name:
[1-(3-methyl-1,2-thiazol-5-yl)ethylideneamino]thiourea
InChI:
InChI=1S/C7H10N4S2/c1-4-3-6(13-11-4)5(2)9-10-7(8)12/h3H,1-2H3,(H3,8,10,12)
InChI Key:
NJACTMXYONDRQF-UHFFFAOYSA-N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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