Benzonitrile, 4-(2-amino-4-thiazolyl)-


Chemical Name: Benzonitrile, 4-(2-amino-4-thiazolyl)-
CAS Number: 436151-85-8
Product Number: AG00DCN0(AGN-PC-0KBJI4)
Synonyms:
MDL No:
Molecular Formula: C10H7N3S
Molecular Weight: 201.2477

Identification/Properties


Computed Properties
Molecular Weight:
201.247g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
201.036g/mol
Monoisotopic Mass:
201.036g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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