2-Aminothiazole-4-carbonitrile supplier

Name
2-Aminothiazole-4-carbonitrile
EINECS
CAS No. 98027-21-5
Article Data2
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point
Formula C₄H₃N₃S
Boiling Point 330.4 °C at 760 mmHg
Molecular Weight 125.15
Flash Point 153.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Aminothiazole-4-carbonitrile;2-amino-1,3-thiazole-4-carbonitrile;4-Thiazolecarbonitrile, 2-amino-;2-Amino-4-cyanothiazole;
PSA 90.94000
LogP 1.17818

2-Aminothiazole-4-carbonitrile Specification

The 2-Aminothiazole-4-carbonitrile, with the CAS registry number 98027-21-5, has the systematic name and IUPAC name of 2-amino-1,3-thiazole-4-carbonitrile. It belongs to the product category of Nitrile. And the molecular formula of the chemical is C₄H₃N₃S.

The characteristics of 2-Aminothiazole-4-carbonitrile are as followings: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.93; (8)ACD/KOC (pH 7.4): 18.94; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 68.16 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 30.87 cm³; (15)Molar Volume: 86.1 cm³; (16)Polarizability: 12.24×10^-24cm³; (17)Surface Tension: 84.6 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 153.6 °C; (20)Enthalpy of Vaporization: 57.3 kJ/mol; (21)Boiling Point: 330.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1nc(sc1)N
(2)InChI: InChI=1/C4H3N3S/c5-1-3-2-8-4(6)7-3/h2H,(H2,6,7)
(3)InChIKey: YWADAVLEEDKKHR-UHFFFAOYAT

Product Name

2-Aminothiazole-4-carbonitrile

2-Aminothiazole-4-carbonitrile Specification

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