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54420-79-0 | Carbonothioic acid, S-2-benzothiazolyl O-methyl ester (9CI)
CAS No: 54420-79-0 Catalog No: AG00DHC3 MDL No:
Product Description
Catalog Number:
AG00DHC3
Chemical Name:
Carbonothioic acid, S-2-benzothiazolyl O-methyl ester (9CI)
CAS Number:
54420-79-0
IUPAC Name:
methyl 1,3-benzothiazol-2-ylsulfanylformate
InChI:
InChI=1S/C9H7NO2S2/c1-12-9(11)14-8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChI Key:
WFHLJEXNRBLUBS-UHFFFAOYSA-N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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