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145013-05-4

Basic Information
CAS No.: 145013-05-4
Name: O,O-Di-tert-butyl diimidothiotricarbonate
Molecular Structure:
Molecular Structure of 145013-05-4 (O,O-Di-tert-butyl diimidothiotricarbonate)
Formula: C11H20N2O4S
Molecular Weight: 276.35
Synonyms: Thiodiimidotricarbonicacid ([(HO)C(O)NH]2C(S)), bis(1,1-dimethylethyl) ester (9CI);N,N'-(tert-Butoxycarbonyl)thiourea;N,N'-Bis(tert-butoxycarbonyl)thiourea;N,N'-Di(tert-butoxycarbonyl)thiourea;bis-Boc-Thiourea;carbamic acid, N,N'-carbonothioylbis-, bis(1,1-dimethylethyl) ester;
EINECS: 215-888-7
Density: 1.152 g/cm3
Melting Point: 131-135 °C(lit.)
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 108.75000
LogP: 3.10250
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    N,N'-BIS-TERT-Butoxycarbonylthiourea

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  • N,N'-Di-(tert-butoxycarbonyl)thiourea

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    145013-05-4

    N,N'-Di-(tert-butoxycarbonyl)thiourea

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    145013-05-4

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  • Thiodiimidotricarbonicacid ([(ho)C(o)nh]2C(S)), 1,5-bis(1,1-dimethylethyl) ester

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    145013-05-4

    Thiodiimidotricarbonicacid ([(ho)C(o)nh]2C(S)), 1,5-bis(1,1-dimethylethyl) ester

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    145013-05-4

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  • N,N'-Bis-tert-butoxycarbonylthiourea

  • Casno:

    145013-05-4

    N,N'-Bis-tert-butoxycarbonylthiourea

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Specification

This chemical is called O,O-di-tert-butyl diimidothiotricarbonate, and it can also be named as N,N′-Bis-tert-butoxycarbonylthiourea. With the molecular formula of C11H20N2O4S, its molecular weight is 276.35. The CAS registry number of this chemical is 145013-05-4. In addition, this chemical should be stored at the temperature of 0-5°C.

Other characteristics of the O,O-di-tert-butyl diimidothiotricarbonate can be summarised as followings: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 29.3; (6)ACD/BCF (pH 7.4): 3.84; (7)ACD/KOC (pH 5.5): 380.25; (8)ACD/KOC (pH 7.4): 49.82; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 91.17 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 70.97 cm3; (15)Molar Volume: 239.7 cm3; (16)Polarizability: 28.13×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.152 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC(C)(C)C)NC(=S)NC(=O)OC(C)(C)C
2.InChI: InChI=1/C11H20N2O4S/c1-10(2,3)16-8(14)12-7(18)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,14,15,18)
3.InChIKey: CSOJECDGWHHWRS-UHFFFAOYAO