Home Other Building Blocks N-Cyano-s-methyl-n'phenylisothiourea

N-Cyano-s-methyl-n'phenylisothiourea

CAS No.:
21504-96-1
Catalog Number:
AG00C41S
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$163
- +
Product Description
Catalog Number:
AG00C41S
Chemical Name:
N-Cyano-s-methyl-n'phenylisothiourea
CAS Number:
21504-96-1
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD00799298
IUPAC Name:
methyl N-cyano-N'-phenylcarbamimidothioate
InChI:
InChI=1S/C9H9N3S/c1-13-9(11-7-10)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
InChI Key:
CVUFVECDCYUJCL-UHFFFAOYSA-N
SMILES:
CS/C(=N/C#N)/Nc1ccccc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties