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146904-67-8 | 4-Isothiazolecarbothioicacid,5-ethoxy-,O-ethylester(9CI)
CAS No: 146904-67-8 Catalog No: AG00B3XR MDL No:
Product Description
Catalog Number:
AG00B3XR
Chemical Name:
4-Isothiazolecarbothioicacid,5-ethoxy-,O-ethylester(9CI)
CAS Number:
146904-67-8
IUPAC Name:
O-ethyl 5-ethoxy-1,2-thiazole-4-carbothioate
InChI:
InChI=1S/C8H11NO2S2/c1-3-10-7(12)6-5-9-13-8(6)11-4-2/h5H,3-4H2,1-2H3
InChI Key:
YNKFZZALORVRFU-UHFFFAOYSA-N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.301g/mol
Monoisotopic Mass:
217.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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