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180002-24-8 | Ethanimidothioic acid, 2-naphthalenylmethyl ester, hydrobromide (1:1)
CAS No: 180002-24-8 Catalog No: AG0021L4 MDL No:
Product Description
Catalog Number:
AG0021L4
Chemical Name:
Ethanimidothioic acid, 2-naphthalenylmethyl ester, hydrobromide (1:1)
CAS Number:
180002-24-8
Molecular Formula:
C13H14BrNS
Molecular Weight:
296.2260
IUPAC Name:
naphthalen-2-ylmethyl ethanimidothioate;hydrobromide
InChI:
InChI=1S/C13H13NS.BrH/c1-10(14)15-9-11-6-7-12-4-2-3-5-13(12)8-11;/h2-8,14H,9H2,1H3;1H
InChI Key:
UQAHJGLYLURAAT-UHFFFAOYSA-N
SMILES:
CC(=N)SCc1ccc2c(c1)cccc2.Br
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.226g/mol
Monoisotopic Mass:
295.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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