Benzonitrile, 4-mercapto-


Chemical Name: Benzonitrile, 4-mercapto-
CAS Number: 36801-01-1
Product Number: AG0038RQ(AGN-PC-0JTBBH)
Synonyms:
MDL No: MFCD00272354
Molecular Formula: C7H5NS
Molecular Weight: 135.1863

Identification/Properties


Computed Properties
Molecular Weight:
135.184g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
135.014g/mol
Monoisotopic Mass:
135.014g/mol
Topological Polar Surface Area:
24.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
127
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:
Danger
UN#:
3082
Hazard Statements:
H315-H319-H413
Precautionary Statements:
P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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