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7022-45-9

7022-45-9 | 2-(Methylthio)benzaldehyde

CAS No: 7022-45-9 Catalog No: AG003F3G MDL No:MFCD00196822

Product Description

Catalog Number:
AG003F3G
Chemical Name:
2-(Methylthio)benzaldehyde
CAS Number:
7022-45-9
MDL Number:
MFCD00196822
IUPAC Name:
2-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChI Key:
XIOBUABQJIVPCQ-UHFFFAOYSA-N
EC Number:
275-974-5
NSC Number:
144623

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Literature

Title Journal
6-Amino-1,3-dimethyl-5-[(E)-2-(methyl-sulfan-yl)benzyl-idene-amino]-pyrimidine-2,4(1H,3H)-dione. Acta crystallographica. Section E, Structure reports online 20110701

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