Home Halogens 1H-Isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-

1H-Isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-

CAS No.:
133-06-2
Catalog Number:
AG00HSQ2
Molecular Formula:
C9H8Cl3NO2S
Molecular Weight:
300.5893
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
>98%(GC)powder
In Stock USA
United States
$73
- +
1g
>98%(GC)powder
In Stock USA
United States
$143
- +
5g
>98%(GC)powder
In Stock USA
United States
$514
- +
Product Description
Catalog Number:
AG00HSQ2
Chemical Name:
1H-Isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-
CAS Number:
133-06-2
Molecular Formula:
C9H8Cl3NO2S
Molecular Weight:
300.5893
MDL Number:
MFCD00041811
IUPAC Name:
2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
InChI Key:
LDVVMCZRFWMZSG-UHFFFAOYSA-N
SMILES:
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl
EC Number:
205-087-0
NSC Number:
36726
RTECS Number:
GW5075000
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.934g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.578g/mol
Monoisotopic Mass:
298.934g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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Properties