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(4-(Chloromethyl)phenyl)(phenyl)sulfane

CAS No.:
1208-87-3
Catalog Number:
AG0038YF
Molecular Formula:
C13H11ClS
Molecular Weight:
234.7444
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Product Description
Catalog Number:
AG0038YF
Chemical Name:
(4-(Chloromethyl)phenyl)(phenyl)sulfane
CAS Number:
1208-87-3
Molecular Formula:
C13H11ClS
Molecular Weight:
234.7444
MDL Number:
MFCD09907764
IUPAC Name:
1-(chloromethyl)-4-phenylsulfanylbenzene
InChI:
InChI=1S/C13H11ClS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
RLFHPRWHJYDGSD-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)Sc1ccccc1
EC Number:
214-903-4
NSC Number:
43056
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.027g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.741g/mol
Monoisotopic Mass:
234.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties