Home Other Building Blocks Benzoyl chloride, 4-(methylthio)-

Benzoyl chloride, 4-(methylthio)-

CAS No.:
1442-06-4
Catalog Number:
AG001J4B
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
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Product Description
Catalog Number:
AG001J4B
Chemical Name:
Benzoyl chloride, 4-(methylthio)-
CAS Number:
1442-06-4
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
IUPAC Name:
4-methylsulfanylbenzoyl chloride
InChI:
InChI=1S/C8H7ClOS/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key:
MIEJPWILCQAQKT-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(=O)Cl
EC Number:
215-882-4
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.653g/mol
Monoisotopic Mass:
185.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties