N-(2-{[(ethylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; N-(2-{[(methylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; methane

• ChemBase ID: 174574
• Molecular Formular: C14H30N4S8
• Molecular Mass: 510.9348
• Monoisotopic Mass: 510.02361498
• SMILES: S(C(=S)NCCNC(=S)SC)C.S(C(=S)NCCNC(=S)SCC)C.C
• Canonical SMILES: CSC(=S)NCCNC(=S)SC.CCSC(=S)NCCNC(=S)SC.C
• InChI: InChI=1S/C7H14N2S4.C6H12N2S4.CH4/c1-3-13-7(11)9-5-4-8-6(10)12-2;1-11-5(9)7-3-4-8-6(10)12-2;/h3-5H2,1-2H3,(H,8,10)(H,9,11);3-4H2,1-2H3,(H,7,9)(H,8,10);1H4
• InChIKey: NNEKVWZSRSUNFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[(ethylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; N-(2-{[(methylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; methane
• IUPAC Traditional name: N-(2-{[(ethylsulfanyl)methanethioyl]amino}ethyl)methylsulfanylcarbothioamide; N-(2-{[(methylsulfanyl)methanethioyl]amino}ethyl)methylsulfanylcarbothioamide; methane
• Synonyms: Polyram; Amarex; Carbatene; Metiram-zinc; NIA 9102; Phytox-Super; Polycarbacin; Polycarbacine; Polycarbazin; Polycarbazine; Polykarbacin; Polymarcin; Polymarcine; Polymarsin; Polymarzin; Polymarzine; Polymat; Polyram 2000; Polyram 80; Polyram 80WP; Polyram DF; Metriram

Database IDs

• CAS Number: 9006-42-2
• PubChem SID: 164230484
• PubChem CID: 71750713

CALCULATED PROPERTIES

• Acid pKa: 7.224183
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 2.9886389
• LogD (pH = 7.4): 2.5839856
• Log P: 2.995861
• Molar Refractivity: 73.3744 cm^3
• Polarizability: 28.961926 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - M338630

Metriram is a polymeric dithiocarbamic fungicide used in agriculture. Metiram is present as a mixture rather than a complex and is not assigned an ISO name. Metiram is used commonly in the protection of grapevines, apples, tomatoes, potatoes as well as ot

REFERENCES

• Golyshin, N.M> et al.: Khim. Sel. Khoz., 4, 897 (1965)
• Ross, R.G. et al.: Can. J. Plant Sci., 58, 601 (1965)
• Newsome, W.H. et al.: J. Agric. Food Chem., 24, 999 (1965)