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20877-02-5 | Benzamide, 2-mercapto-N,N-dimethyl-
CAS No: 20877-02-5 Catalog No: AG002JW5 MDL No:MFCD17015441
Product Description
Catalog Number:
AG002JW5
Chemical Name:
Benzamide, 2-mercapto-N,N-dimethyl-
CAS Number:
20877-02-5
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD17015441
IUPAC Name:
N,N-dimethyl-2-sulfanylbenzamide
InChI:
InChI=1S/C9H11NOS/c1-10(2)9(11)7-5-3-4-6-8(7)12/h3-6,12H,1-2H3
InChI Key:
FXRWSGAWEVMMJW-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccccc1S)C
EC Number:
244-094-3
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis of N,N-dimethyl-2-(2-amino-4-[18F]fluorophenylthio)benzylamine as a serotonin transporter imaging agent. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20030201 |
| New PET imaging agent for the serotonin transporter: [(18)F]ACF (2-[(2-amino-4-chloro-5-fluorophenyl)thio]-N,N-dimethyl-benzenmethanamine). | Journal of medicinal chemistry 20021010 |
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