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116636-52-3 | 2-Thiazolecarbamic acid, 5-thiocyanato-, ethyl ester (6CI)
CAS No: 116636-52-3 Catalog No: AG009UYS MDL No:
Product Description
Catalog Number:
AG009UYS
Chemical Name:
2-Thiazolecarbamic acid, 5-thiocyanato-, ethyl ester (6CI)
CAS Number:
116636-52-3
IUPAC Name:
ethyl N-(5-thiocyanato-1,3-thiazol-2-yl)carbamate
InChI:
InChI=1S/C7H7N3O2S2/c1-2-12-7(11)10-6-9-3-5(14-6)13-4-8/h3H,2H2,1H3,(H,9,10,11)
InChI Key:
FLRXOMZDQBOARY-UHFFFAOYSA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.272g/mol
Monoisotopic Mass:
228.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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