Home Other Building Blocks 2-CHLOROALLYL PHENYL SULFIDE

2-CHLOROALLYL PHENYL SULFIDE

CAS No.:
4834-59-7
Catalog Number:
AG01ELXJ
Molecular Formula:
C9H9ClS
Molecular Weight:
184.6858
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Product Description
Catalog Number:
AG01ELXJ
Chemical Name:
2-CHLOROALLYL PHENYL SULFIDE
CAS Number:
4834-59-7
Molecular Formula:
C9H9ClS
Molecular Weight:
184.6858
MDL Number:
MFCD00034127
IUPAC Name:
2-chloroprop-2-enylsulfanylbenzene
InChI:
InChI=1S/C9H9ClS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,1,7H2
InChI Key:
ZPOIVATUXSSJNP-UHFFFAOYSA-N
SMILES:
ClC(=C)CSc1ccccc1
NSC Number:
115090
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.011g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.681g/mol
Monoisotopic Mass:
184.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties