Home Other Building Blocks 1,3-Benzenedicarbothioamide

1,3-Benzenedicarbothioamide

CAS No.:
3030-54-4
Catalog Number:
AG002ZK7
Molecular Formula:
C8H8N2S2
Molecular Weight:
196.2925
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$77
- +
5g
97%
1 week
United States
$177
- +
Product Description
Catalog Number:
AG002ZK7
Chemical Name:
1,3-Benzenedicarbothioamide
CAS Number:
3030-54-4
Molecular Formula:
C8H8N2S2
Molecular Weight:
196.2925
MDL Number:
MFCD16293899
IUPAC Name:
benzene-1,3-dicarbothioamide
InChI:
InChI=1S/C8H8N2S2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChI Key:
DJOXZAYSEDLTGM-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)C(=S)N
NSC Number:
94790
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.286g/mol
Monoisotopic Mass:
196.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Ultrasound-promoted a green protocol for the synthesis of 2,4-diarylthiazoles under ambient temperature in [bmim]BF(4). Ultrasonics sonochemistry 20090801
Properties