2-Thiazolamine,4-[4-(methylthio)phenyl]- supplier

Name
4-[4-(METHYLTHIO)PHENYL]-1,3-THIAZOL-2-AMINE
EINECS
CAS No. 105512-85-4
Density 1.33 g/cm³
Solubility
Melting Point 179-181 °C
Formula C₁₀H₁₀N₂S₂
Boiling Point 419.8 °C at 760 mmHg
Molecular Weight 222.33
Flash Point 207.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[4-(Methylthio)phenyl]thiazol-2-amine;
PSA 93.18000
LogP 3.04430

2-Thiazolamine,4-[4-(methylthio)phenyl]- Specification

The 2-Thiazolamine,4-[4-(methylthio)phenyl]-, with the CAS registry number 105512-85-4, is also known as 4-[4-(Methylsulfanyl)phenyl]-1,3-thiazol-2-amine. This chemical's molecular formula is C₁₀H₁₀N₂S₂ and molecular weight is 222.33.

Physical properties of 2-Thiazolamine,4-[4-(methylthio)phenyl]- are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 70.42; (6)ACD/BCF (pH 7.4): 108.06; (7)ACD/KOC (pH 5.5): 646.42; (8)ACD/KOC (pH 7.4): 991.91; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.67 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 63.65 cm³; (15)Molar Volume: 166.7 cm³; (16)Polarizability: 25.23×10^-24cm³; (17)Surface Tension: 66.6 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 207.7 °C; (20)Enthalpy of Vaporization: 67.35 kJ/mol; (21)Boiling Point: 419.8 °C at 760 mmHg; (22)Vapour Pressure: 2.96E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSC1=CC=C(C=C1)C2=CSC(=N2)N
(2)InChI: InChI=1S/C10H10N2S2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12)
(3)InChIKey: YSUNRHCYOWYXOJ-UHFFFAOYSA-N

Product Name

4-[4-(METHYLTHIO)PHENYL]-1,3-THIAZOL-2-AMINE

2-Thiazolamine,4-[4-(methylthio)phenyl]- Specification

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