CAS No.56503-96-9,4-(1-Naphthalenyl)-2-thiazolamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56503-96-9
Name:	4-(1-Naphthalenyl)-2-thiazolamine
Article Data:	16

Formula:	C₁₃H₁₀N₂S
Molecular Weight:	226.30
Synonyms:	Thiazole,2-amino-4-(1-naphthyl)- (6CI);2-Amino-4-(naphthalen-1-yl)thiazole;2-Amino-4-(naphthalin-1-yl)thiazol;2-Amino-4-naphth-1'-ylthiazole;2-Amino-4-a-naphthylthiazole;4-(1-Naphthalenyl)-2-thiazolamine;
EINECS:	-0
Density:	1.301 g/cm³
Melting Point:	155-158 °C
Boiling Point:	428.4 °C at 760 mmHg
Flash Point:	212.9 °C
Appearance:	crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	67.15000
LogP:	4.12670

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Specification

The IUPAC name of 4-(1-Naphthalenyl)-2-thiazolamine is 4-naphthalen-1-yl-1,3-thiazol-2-amine. With the CAS registry number 56503-96-9, it is also named as 2-Amino-4-(1-naphthalenyl)-1,3-thiazole. The product's classification code is Mutation data. Besides, it is crystalline powder, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₁₃H₁₀N₂S and its molecular weight is 226.30.

The other characteristics of 4-(1-Naphthalenyl)-2-thiazolamine can be summarized as: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 137.01; (6)ACD/BCF (pH 7.4): 212.18; (7)ACD/KOC (pH 5.5): 1038.1; (8)ACD/KOC (pH 7.4): 1607.65; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 69.39 cm³; (15)Molar Volume: 173.8 cm³; (16)Polarizability: 27.51×10^-24cm³; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.301 g/cm³; (19)Flash Point: 212.9 °C; (20)Melting Point: 155-158 °C; (21)Enthalpy of Vaporization: 68.35 kJ/mol; (22)Boiling Point: 428.4 °C at 760 mmHg; (23)Vapour Pressure: 1.53E-07 mmHg at 25 °C.

Preparation of this product: this chemical can be prepared by Thiourea and 1-Naphthalen-1-yl-ethanone.

This reaction needs Iodine. The yield is 80 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: n3c(c1cccc2c1cccc2)csc3N
(2)InChI: InChI=1/C13H10N2S/c14-13-15-12(8-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15)
(3)InChIKey: NBQUWOCIFFHZTM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15)
(5)Std. InChIKey: NBQUWOCIFFHZTM-UHFFFAOYSA-N