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3683-61-2 | 1-(3-Isothiazolyl)ethanone thiosemicarbazone
CAS No: 3683-61-2 Catalog No: AG00CZ35 MDL No:
Product Description
Catalog Number:
AG00CZ35
Chemical Name:
1-(3-Isothiazolyl)ethanone thiosemicarbazone
CAS Number:
3683-61-2
IUPAC Name:
[1-(1,2-thiazol-3-yl)ethylideneamino]thiourea
InChI:
InChI=1S/C6H8N4S2/c1-4(8-9-6(7)11)5-2-3-12-10-5/h2-3H,1H3,(H3,7,9,11)
InChI Key:
WADCUZSNQYURKU-UHFFFAOYSA-N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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