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2114-02-5 | Thiourea, N-(aminoiminomethyl)-
CAS No: 2114-02-5 Catalog No: AG002LC5 MDL No:MFCD00014472
Product Description
Catalog Number:
AG002LC5
Chemical Name:
Thiourea, N-(aminoiminomethyl)-
CAS Number:
2114-02-5
Molecular Formula:
C2H6N4S
Molecular Weight:
118.1608
MDL Number:
MFCD00014472
IUPAC Name:
diaminomethylidenethiourea
InChI:
InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChI Key:
OKGXJRGLYVRVNE-UHFFFAOYSA-N
SMILES:
NN=CNC(=S)N
EC Number:
218-308-0
UNII:
LF1NJY8ID8
NSC Number:
55743
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.031g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
118.158g/mol
Monoisotopic Mass:
118.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Antihypoxic and antioxidant effects of exogenous succinic acid and aminothiol succinate-containing antihypoxants. | Bulletin of experimental biology and medicine 20120701 |
| Microwave-assisted Heterocyclic Dicarboxylic Acids as Potential Antifungal and Antibacterial Drugs. | Indian journal of pharmaceutical sciences 20110101 |
| Electronic structure and reactivity of guanylthiourea: a quantum chemical study. | Journal of computational chemistry 20100430 |
| Supramolecular motifs in the first structures of organic carboxylate salts of 1-(diaminomethylene)thiourea (HATU). | Acta crystallographica. Section C, Crystal structure communications 20090801 |
| Products of the interaction of (1-diaminomethylene)thiourea with hydrofluoric acid. | Acta crystallographica. Section C, Crystal structure communications 20090501 |
| Products of the oxidation of 1-(diaminomethylene)thiourea with hydrogen peroxide. | Acta crystallographica. Section C, Crystal structure communications 20081101 |
| Hydrogen-bonded networks in crystals of 1-(diaminomethylene)thiouron-1-ium perchlorate, hydrogen sulfate, dihydrogen phosphate and dihydrogen arsenate. | Acta crystallographica. Section C, Crystal structure communications 20080601 |
| 1-(Diaminomethylene)thiourea: a tautomer of 2-imino-4-thiobiuret. | Acta crystallographica. Section C, Crystal structure communications 20080301 |
| [Neurophysiological analysis of the effects of antihypoxic versus psychotropic agents]. | Vestnik Rossiiskoi akademii meditsinskikh nauk 20020101 |
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