Benzenethiol, 4-(1-methylethyl)-


Chemical Name: Benzenethiol, 4-(1-methylethyl)-
CAS Number: 4946-14-9
Product Number: AG003BW5(AGN-PC-0JS9XH)
Synonyms:
MDL No:
Molecular Formula: C9H12S
Molecular Weight: 152.2566

Identification/Properties


Properties
BP:
215.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Stability:
Stench
Refractive Index:
n20/D 1.552(lit.)
Computed Properties
Molecular Weight:
152.255g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
152.066g/mol
Monoisotopic Mass:
152.066g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
90.9
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#:
2922
Hazard Statements:
H302-H312-H314-H332
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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