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29199-11-9 | Benzaldehyde, 2-mercapto-
CAS No: 29199-11-9 Catalog No: AG002XN8 MDL No:MFCD01076198
Product Description
Catalog Number:
AG002XN8
Chemical Name:
Benzaldehyde, 2-mercapto-
CAS Number:
29199-11-9
Molecular Formula:
C7H6OS
Molecular Weight:
138.1869
MDL Number:
MFCD01076198
IUPAC Name:
2-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H6OS/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChI Key:
KSDMMCFWQWBVBW-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1S
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.184g/mol
Monoisotopic Mass:
138.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Organocatalytic asymmetric domino sulfa-Michael-aldol reactions of 2-mercaptobenzaldehyde with α,β-unsaturated N-acylpyrazoles for the construction of thiochromane. | Chemical communications (Cambridge, England) 20120725 |
| Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes. | Journal of molecular modeling 20120101 |
| Thiofunctional vanadium complexes. | Inorganic chemistry 20020506 |
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