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19921-40-5 | Methanimidothioic acid, N-phenyl-, butyl ester, (Z)-
CAS No: 19921-40-5 Catalog No: AG002BZC MDL No:
Product Description
Catalog Number:
AG002BZC
Chemical Name:
Methanimidothioic acid, N-phenyl-, butyl ester, (Z)-
CAS Number:
19921-40-5
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
IUPAC Name:
butyl N-phenylmethanimidothioate
InChI:
InChI=1S/C11H15NS/c1-2-3-9-13-10-12-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3
InChI Key:
ZWSNZOXVPVIRNX-UHFFFAOYSA-N
SMILES:
CCCCS/C=N\c1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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