Home Other Building Blocks 3-Chloropropyl thiolacetate

3-Chloropropyl thiolacetate

CAS No.:
13012-54-9
Catalog Number:
AG000U1I
Molecular Formula:
C5H9ClOS
Molecular Weight:
152.6424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$111
- +
5g
90%
In Stock USA
United States
$135
- +
25g
90%
In Stock USA
United States
$219
- +
Product Description
Catalog Number:
AG000U1I
Chemical Name:
3-Chloropropyl thiolacetate
CAS Number:
13012-54-9
Molecular Formula:
C5H9ClOS
Molecular Weight:
152.6424
MDL Number:
MFCD00001002
IUPAC Name:
S-(3-chloropropyl) ethanethioate
InChI:
InChI=1S/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3
InChI Key:
IOLUCUQNAZTKMN-UHFFFAOYSA-N
SMILES:
CC(=O)SCCCCl
NSC Number:
163141
Properties
Complexity:
74.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.006g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.636g/mol
Monoisotopic Mass:
152.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties