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| Name |
3H-1,2,4-Triazole-3-thione,5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2,4-dihydro-4-methyl- |
EINECS | N/A |
| CAS No. | 175202-31-0 | Density | 1.75 g/cm3 |
| PSA | 87.33000 | LogP | 1.65540 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H7Cl2N5S | Boiling Point | 417.1 °C at 760 mmHg |
| Molecular Weight | 264.138 | Flash Point | 206 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;4H-1,2,4-Triazole-3-thiol, 5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-;5-[(4,5-Dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol;5-[(4,5-Dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thiol; |
3H-1,2,4-Triazole-3-thione,5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2,4-dihydro-4-methyl- Specification
The 3H-1,2,4-Triazole-3-thione,5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2,4-dihydro-4-methyl-, with the CAS registry number 175202-31-0, has the systematic name of 5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. It is a kind of irritant chemical, and the molecular formula of the chemical is C7H7Cl2N5S.
The characteristics of 3H-1,2,4-Triazole-3-thione,5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-2,4-dihydro-4-methyl- are as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.41; (8)ACD/KOC (pH 7.4): 19.91; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.75 Å2; (13)Index of Refraction: 1.779; (14)Molar Refractivity: 63.12 cm3; (15)Molar Volume: 150.4 cm3; (16)Polarizability: 25.02×10-24cm3; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.75 g/cm3; (19)Flash Point: 206 °C; (20)Enthalpy of Vaporization: 67.04 kJ/mol; (21)Boiling Point: 417.1 °C at 760 mmHg; (22)Vapour Pressure: 3.64E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C1N(\C(=N/N1)Cn2c(Cl)c(Cl)nc2)C
(2)InChI: InChI=1/C7H7Cl2N5S/c1-13-4(11-12-7(13)15)2-14-3-10-5(8)6(14)9/h3H,2H2,1H3,(H,12,15)
(3)InChIKey: JIFYHCAKBJLMHL-UHFFFAOYAX
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