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3030-54-4 | 1,3-Benzenedicarbothioamide
CAS No: 3030-54-4 Catalog No: AG002ZK7 MDL No:MFCD16293899
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 |
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