Benzenethiol, 3-amino-


Chemical Name: Benzenethiol, 3-amino-
CAS Number: 22948-02-3
Product Number: AG002LMR(AGN-PC-0JKLZU)
Synonyms:
MDL No: MFCD00007791
Molecular Formula: C6H7NS
Molecular Weight: 125.1915

Identification/Properties


Properties
MP:
97 C
BP:
80°C 16mm
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.656(lit.)
Computed Properties
Molecular Weight:
125.189g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
125.03g/mol
Monoisotopic Mass:
125.03g/mol
Topological Polar Surface Area:
27A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
74.9
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#:
3267
Hazard Statements:
H302+H312+H332-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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