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6622-82-8 | ISONICOTINALDEHYDE N-ISOBUTYLTHIOSEMICARBAZONE
CAS No: 6622-82-8 Catalog No: AG006ORZ MDL No:
Product Description
Catalog Number:
AG006ORZ
Chemical Name:
ISONICOTINALDEHYDE N-ISOBUTYLTHIOSEMICARBAZONE
CAS Number:
6622-82-8
Molecular Formula:
C11H16N4S
Molecular Weight:
236.3365
IUPAC Name:
1-(2-methylpropyl)-3-(pyridin-4-ylmethylideneamino)thiourea
InChI:
InChI=1S/C11H16N4S/c1-9(2)7-13-11(16)15-14-8-10-3-5-12-6-4-10/h3-6,8-9H,7H2,1-2H3,(H2,13,15,16)
InChI Key:
GWYHBBSOKQEKRU-UHFFFAOYSA-N
SMILES:
CC(CNC(=S)NN=Cc1ccncc1)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.337g/mol
Monoisotopic Mass:
236.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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