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36801-01-1 | 4-Mercaptobenzonitrile
CAS No: 36801-01-1 Catalog No: AG0038RQ MDL No:MFCD00272354
Product Description
Catalog Number:
AG0038RQ
Chemical Name:
4-Mercaptobenzonitrile
CAS Number:
36801-01-1
Molecular Formula:
C7H5NS
Molecular Weight:
135.1863
MDL Number:
MFCD00272354
IUPAC Name:
4-sulfanylbenzonitrile
InChI:
InChI=1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChI Key:
MVPUXVBBHWUOFS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.184g/mol
Monoisotopic Mass:
135.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Chemical images of marine bio-active compounds by surface enhanced Raman spectroscopy and transposed orthogonal partial least squares (T-OPLS). | Analytica chimica acta 20120806 |
| Vibrational stark effect of the electric-field reporter 4-mercaptobenzonitrile as a tool for investigating electrostatics at electrode/SAM/solution interfaces. | International journal of molecular sciences 20120101 |
| Sum-frequency spectroscopy of molecular adsorbates on low-index Ag surfaces: effects of azimuthal rotation. | Analytical chemistry 20090201 |
| Synthesis of 4-cyano and 4-nitrophenyl 1,6-dithio-D-manno-, L-ido- and D-glucoseptanosides possessing antithrombotic activity. | Carbohydrate research 20020903 |
| Conversion of 2,6-anhydro-D-altrose and--mannose derivatives with 4-substituted phenyl thiols to prepare compounds with potential antithrombotic activity. | Carbohydrate research 20010604 |
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