Home Other Building Blocks (2-Chloroethyl)(phenyl)sulfane

(2-Chloroethyl)(phenyl)sulfane

CAS No.:
5535-49-9
Catalog Number:
AG003BMV
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$108
- +
5g
98%
In Stock USA
United States
$126
- +
25g
98%
In Stock USA
United States
$201
- +
Product Description
Catalog Number:
AG003BMV
Chemical Name:
(2-Chloroethyl)(phenyl)sulfane
CAS Number:
5535-49-9
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
MDL Number:
MFCD00013691
IUPAC Name:
2-chloroethylsulfanylbenzene
InChI:
InChI=1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
QDXIHHOPZFCEAP-UHFFFAOYSA-N
SMILES:
ClCCSc1ccccc1
EC Number:
226-891-8
NSC Number:
45458
Properties
Complexity:
79.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.011g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.67g/mol
Monoisotopic Mass:
172.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Dicarbon-yl(η-cyclo-penta-dien-yl)[2-(phenyl-sulfan-yl)eth-yl]iron(II). Acta crystallographica. Section E, Structure reports online 20110501
Properties