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3683-62-3 | 1-(3-Methyl-4-isothiazolyl)ethanone thiosemicarbazone
CAS No: 3683-62-3 Catalog No: AG00CZT3 MDL No:
Product Description
Catalog Number:
AG00CZT3
Chemical Name:
1-(3-Methyl-4-isothiazolyl)ethanone thiosemicarbazone
CAS Number:
3683-62-3
IUPAC Name:
[1-(3-methyl-1,2-thiazol-4-yl)ethylideneamino]thiourea
InChI:
InChI=1S/C7H10N4S2/c1-4(9-10-7(8)12)6-3-13-11-5(6)2/h3H,1-2H3,(H3,8,10,12)
InChI Key:
WMMNRUMUZHHWRJ-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:
0.9
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