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61553-73-9 | 2-Propenethioicacid,S-2-benzothiazolylester(9CI)
CAS No: 61553-73-9 Catalog No: AG00F4T9 MDL No:
Product Description
Catalog Number:
AG00F4T9
Chemical Name:
2-Propenethioicacid,S-2-benzothiazolylester(9CI)
CAS Number:
61553-73-9
IUPAC Name:
S-(1,3-benzothiazol-2-yl) prop-2-enethioate
InChI:
InChI=1S/C10H7NOS2/c1-2-9(12)14-10-11-7-5-3-4-6-8(7)13-10/h2-6H,1H2
InChI Key:
GDFMXGPKYUYYCI-UHFFFAOYSA-N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.292g/mol
Monoisotopic Mass:
220.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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