CAS No.147751-16-4,Carbamic acid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147751-16-4
Name:	Carbamic acid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI)
Article Data:	21

Formula:	C₆H₁₃NO₄S
Molecular Weight:	195.24
Synonyms:	Carbamicacid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI);N-(Methylsulfonyl)carbamic acid tert-butyl ester;N-(t-Butoxycarbonyl)methanesulfonamide;N-Boc-methanesulfonamide;N-tert-Butoxycarbonylmethanesulfonamide;tert-Butyl methanesulfonylcarbamate;tert-Butyl methylsulfonylcarbamate;
Density:	1.213 g/cm³
Melting Point:	108-109 °C
Appearance:	White to off-white powder
PSA:	80.85000
LogP:	1.94240

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Specification

The tert-Butyl N-methanesulfonylcarbamate, with the CAS registry number 147751-16-4, is also known as (Methylsulfonyl)carbamic acid 1,1-dimethylethyl ester. It belongs to the product category of N-BOC. This chemical's molecular formula is C₆H₁₃NO₄S and molecular weight is 195.23672. Its systematic name is called tert-butyl (methylsulfonyl)carbamate.

Physical properties of tert-Butyl N-methanesulfonylcarbamate: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.85 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 44.154 cm³; (15)Molar Volume: 160.955 cm³; (16)Surface Tension: 38.848 dyne/cm; (17)Density: 1.213 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NC(=O)OC(C)(C)C)C
(2)InChI: InChI=1/C6H13NO4S/c1-6(2,3)11-5(8)7-12(4,9)10/h1-4H3,(H,7,8)
(3)InChIKey: GAIZFMKSOHADOV-UHFFFAOYAE