-
Name
3-AMINO-5-BENZYLTHIO-1,2,4-THIADIAZOLE
- EINECS
- CAS No. 60093-11-0
- Density 1.39 g/cm3
- Solubility
- Melting Point 120 °C
- Formula C9H9N3S2
- Boiling Point 416.2 °C at 760 mmHg
- Molecular Weight 223.323
- Flash Point 205.5 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 37/38-41
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Molecular Structure
- Hazard Symbols Xi
- Synonyms 3-AMINO-5-BENZYLTHIO-1,2,4-THIADIAZOLE;3-Amino-5-(benzylthio)-1,2,4-thizdiazole
- PSA 105.34000
- LogP 2.99380
1,2,4-Thiadiazol-3-amine,5-[(phenylmethyl)thio]- Specification
This chemical is called 1,2,4-Thiadiazol-3-amine,5-[(phenylmethyl)thio]-, and its systematic name is 5-(benzylsulfanyl)-1,2,4-thiadiazol-3-amine. With the molecular formula of C9H9N3S2, its molecular weight is 223.32. The CAS registry number of this chemical is 60093-11-0. Additionally, this chemical should be sealed in the cool and dry place, away from water.
Other characteristics of the 1,2,4-Thiadiazol-3-amine,5-[(phenylmethyl)thio]- can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.63; (6)ACD/BCF (pH 7.4): 60.63; (7)ACD/KOC (pH 5.5): 657.13; (8)ACD/KOC (pH 7.4): 657.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 82.56 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 61.46 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 24.36×10-24cm3; (17)Surface Tension: 76.6 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 205.5 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 416.2 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S(c1nc(ns1)N)Cc2ccccc2
2.InChI: InChI=1/C9H9N3S2/c10-8-11-9(14-12-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
3.InChIKey: VTSHLDJUHMNAIL-UHFFFAOYAE
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