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208921-52-2 | Hydrazinecarbothioamide, 2-(3-chloro-2-quinoxalinyl)-N-phenyl-
CAS No: 208921-52-2 Catalog No: AG002JYL MDL No:
Product Description
Catalog Number:
AG002JYL
Chemical Name:
Hydrazinecarbothioamide, 2-(3-chloro-2-quinoxalinyl)-N-phenyl-
CAS Number:
208921-52-2
Molecular Formula:
C15H12ClN5S
Molecular Weight:
329.8073
IUPAC Name:
1-[(3-chloroquinoxalin-2-yl)amino]-3-phenylthiourea
InChI:
InChI=1S/C15H12ClN5S/c16-13-14(19-12-9-5-4-8-11(12)18-13)20-21-15(22)17-10-6-2-1-3-7-10/h1-9H,(H,19,20)(H2,17,21,22)
InChI Key:
RQAMQFARZLLEDL-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NNc1nc2ccccc2nc1Cl
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
329.806g/mol
Monoisotopic Mass:
329.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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