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38917-37-2

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Basic Information
CAS No.: 38917-37-2
Name: N-tert-butyl-1,3,4-thiadiazol-2-amine
Molecular Structure:
Molecular Structure of 38917-37-2 (N-tert-butyl-1,3,4-thiadiazol-2-amine)
Formula: C6H11N3S
Molecular Weight: 157.239
Synonyms: 1,3,4-Thiadiazole,2-(tert-butylamino)-;
EINECS: 254-188-6
Density: 1.17 g/cm3
Boiling Point: 224.636 °C at 760 mmHg
Flash Point: 89.657 °C
PSA: 69.28000
LogP: 1.17040
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Specification

The 1,3,4-Thiadiazol-2-amine,N-(1,1-dimethylethyl)- is an organic compound with the formula C6H11N3S. With the CAS registry number 38917-37-2, the IUPAC name of this chemical is N-tert-butyl-1,3,4-thiadiazol-2-amine.

Physical properties about 1,3,4-Thiadiazol-2-amine,N-(1,1-dimethylethyl)- are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 100; (7)ACD/KOC (pH 7.4): 101; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 66.05 Å2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 44.293 cm3; (14)Molar Volume: 134.385 cm3; (15)Polarizability: 17.559×10-24cm3; (16)Surface Tension: 47.108 dyne/cm; (17)Density: 1.17 g/cm3; (18)Flash Point: 89.657 °C; (19)Enthalpy of Vaporization: 46.114 kJ/mol; (20)Boiling Point: 224.636 °C at 760 mmHg; (21)Vapour Pressure: 0.09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ncsc1NC(C)(C)C
(2)InChI: InChI=1/C6H11N3S/c1-6(2,3)8-5-9-7-4-10-5/h4H,1-3H3,(H,8,9)
(3)InChIKey: XNQTUNHFIIWKKQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H11N3S/c1-6(2,3)8-5-9-7-4-10-5/h4H,1-3H3,(H,8,9)
(5)Std. InChIKey: XNQTUNHFIIWKKQ-UHFFFAOYSA-N