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7204-48-0

Basic Information
CAS No.: 7204-48-0
Name: 1-TERT-BUTYL-2-THIOUREA
Article Data: 7
Molecular Structure:
Molecular Structure of 7204-48-0 (1-TERT-BUTYL-2-THIOUREA)
Formula: C5H12N2S
Molecular Weight: 132.23
Synonyms: Thiourea,(1,1-dimethylethyl)- (9CI);Urea, 1-tert-butyl-2-thio- (6CI,7CI,8CI);1-tert-Butyl-2-thiourea;1-tert-Butylthiourea;N-tert-Butylthiourea;tert-Butylthiourea;
Density: 1.028 g/cm3
Melting Point: 171-172°C
Boiling Point: 187.2 °C at 760 mmHg
Flash Point: 67 °C
Risk Codes: 22
Safety: 22-36/37
PSA: 70.14000
LogP: 1.70930
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  • 1-tert-butyl-2-thiourea  CAS NO.7204-48-0

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Specification

This chemical is called 1-tert-Butylthiourea, and it can also be named as Thiourea, N-(1,1-dimethylethyl)-. With the molecular formula of C5H12N2S, its molecular weight is 132.23. The CAS registry number of this chemical is 7204-48-0.

Other characteristics of the 1-tert-Butylthiourea can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.46; (6)ACD/BCF (pH 7.4): 1.46; (7)ACD/KOC (pH 5.5): 45.56; (8)ACD/KOC (pH 7.4): 45.56; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 39.59 cm3; (15)Molar Volume: 128.5 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.028 g/cm3; (19)Flash Point: 67 °C; (20)Enthalpy of Vaporization: 42.34 kJ/mol; (21)Boiling Point: 187.2 °C at 760 mmHg; (22)Vapour Pressure: 0.637 mmHg at 25°C.

Uses of this chemical: The C14H22N4S*ClH could be obtained by the reactants of C9H11ClN2 and 1-tert-Butylthiourea. This reaction should be taken at the temperature of 20 °C. The yield is 65 %.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. Do not breathe dust. Wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C(N)NC(C)(C)C
2.InChI: InChI=1/C5H12N2S/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
3.InChIKey: RYOCWONLFFPYMN-UHFFFAOYAM