Benzene, (methylthio)-


Chemical Name: Benzene, (methylthio)-
CAS Number: 100-68-5
Product Number: AG00006Y(AGN-PC-008LG3)
Synonyms:
MDL No:
Molecular Formula: C7H8S
Molecular Weight: 124.2034

Identification/Properties


Properties
MP:
−15 °C(lit.)
BP:
193°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.587(lit.)
Computed Properties
Molecular Weight:
124.201g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
124.035g/mol
Monoisotopic Mass:
124.035g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
55.4
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


NMR Spectrum


Other Analytical Data


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