Propanenitrile, 3-mercapto-


Chemical Name: Propanenitrile, 3-mercapto-
CAS Number: 1001-58-7
Product Number: AG0000Y1(AGN-PC-0JL9Q0)
Synonyms:
MDL No:
Molecular Formula: C3H5NS
Molecular Weight: 87.1435

Identification/Properties


Properties
BP:
203.9°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
87.14g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
87.014g/mol
Monoisotopic Mass:
87.014g/mol
Topological Polar Surface Area:
24.8A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
51.2
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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