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21017-69-6 | Benzenecarboximidothioic acid, N-cyano-, methyl ester
CAS No: 21017-69-6 Catalog No: AG002KMP MDL No:
Product Description
Catalog Number:
AG002KMP
Chemical Name:
Benzenecarboximidothioic acid, N-cyano-, methyl ester
CAS Number:
21017-69-6
Molecular Formula:
C9H8N2S
Molecular Weight:
176.2382
IUPAC Name:
methyl N-cyanobenzenecarboximidothioate
InChI:
InChI=1S/C9H8N2S/c1-12-9(11-7-10)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
HBQKNLQIEINHQW-UHFFFAOYSA-N
SMILES:
CSC(=NC#N)c1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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