200,000+ products from a single source!
sales@angenechem.com
85972-11-8 | Benzene, [(2-chloro-1-methylene-2-propenyl)thio]-
CAS No: 85972-11-8 Catalog No: AG004M8D MDL No:
Product Description
Catalog Number:
AG004M8D
Chemical Name:
Benzene, [(2-chloro-1-methylene-2-propenyl)thio]-
CAS Number:
85972-11-8
Molecular Formula:
C10H9ClS
Molecular Weight:
196.6965
IUPAC Name:
3-chlorobuta-1,3-dien-2-ylsulfanylbenzene
InChI:
InChI=1S/C10H9ClS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-7H,1-2H2
InChI Key:
HVMFCFUQQTVEHB-UHFFFAOYSA-N
SMILES:
C=C(C(=C)Cl)Sc1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.692g/mol
Monoisotopic Mass:
196.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.