Home Other Building Blocks Benzenecarbodithioic acid, 1-cyano-1-methylethyl ester

Benzenecarbodithioic acid, 1-cyano-1-methylethyl ester

CAS No.:
201611-85-0
Catalog Number:
AG002DJV
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002DJV
Chemical Name:
Benzenecarbodithioic acid, 1-cyano-1-methylethyl ester
CAS Number:
201611-85-0
Molecular Formula:
C11H11NS2
Molecular Weight:
221.3417
MDL Number:
MFCD09037881
IUPAC Name:
2-cyanopropan-2-yl benzenecarbodithioate
InChI:
InChI=1S/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
IDSLBLWCPSAZBL-UHFFFAOYSA-N
SMILES:
N#CC(SC(=S)c1ccccc1)(C)C
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties