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Home > Imidazoles > 13431-10-2
13431-10-2 | 2-Imidazolidinethione, 1-methyl-
CAS No: 13431-10-2 Catalog No: AG00HTAF MDL No:MFCD00800600
Product Description
Catalog Number:
AG00HTAF
Chemical Name:
2-Imidazolidinethione, 1-methyl-
CAS Number:
13431-10-2
Molecular Formula:
C4H8N2S
Molecular Weight:
116.1847
MDL Number:
MFCD00800600
IUPAC Name:
1-methylimidazolidine-2-thione
InChI:
InChI=1S/C4H8N2S/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
InChI Key:
FDDDTDSPQXLQFY-UHFFFAOYSA-N
SMILES:
S=C1NCCN1C
Properties
Complexity:
91.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.041g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.182g/mol
Monoisotopic Mass:
116.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| A Sandmeyer type reaction for bromination of 2-mercapto-1-methyl-imidazoline (N2C4H6S) into 2-bromo-1-methyl-imidazole (N2C4H5Br) in presence of copper(I) bromide. | Dalton transactions (Cambridge, England : 2003) 20111121 |
| Estimation of σ- and π-donor properties of heterocyclic thioamides by spectroscopic and magnetic resonance methods. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015 |
| Metal mediated C-S rupture of heterocyclic thioamides: in situ generation of 2,2'-thio-di-2-imidazoline, 1,1'-dimethyl-2,2'-di-imidazolylsulfide, SO4(2-) and their variable coordination to Cu(II). | Dalton transactions (Cambridge, England : 2003) 20100914 |
| Interaction of thioamides, selenoamides, and amides with diiodine. | Bioinorganic chemistry and applications 20060101 |
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