Name: BSOCOES
SKU: 57683-72-4

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Basic Information

Molecular Structure:
CAS No.:	57683-72-4
Name:	BSOCOES
Article Data:	1

Formula:	C₁₄H₁₆N₂O₁₂S
Molecular Weight:	436.353
Synonyms:	2,5-Pyrrolidinedione,1,1'-[sulfonylbis(2,1-ethanediyloxycarbonyloxy)]bis- (9CI);Bis[2-(succinimidooxycarbonyloxy)ethyl]sulfone;NSC 338309;
EINECS:	260-904-8
Density:	1.67 g/cm³
Melting Point:	169-173 °C
Boiling Point:	636 °C at 760 mmHg
Flash Point:	338.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	188.34000
LogP:	-0.20780

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Specification

The CAS register number of Bis(2-(succinimidooxycarbonyloxy)ethyl)sulfone is 57683-72-4. It also can be called as Carbonic acid,C,C'-(sulfonyldi-2,1-ethanediyl) C,C'-bis(2,5-dioxo-1-pyrrolidinyl) ester and the IUPAC name about this chemical is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfonyl]ethyl carbonate. The molecular formula about this chemical is C₁₄H₁₆N₂O₁₂S and the molecular weight is 436.35. It belongs to the following product categories which include Nitric Oxide Reagents; Cross Linking Reagents and so on. This chemical is an amine reactive homobifunctional crosslinking reagent. It is an bifunctional reagent for intramolecular crosslinking of insulin.

Physical properties about Bis(2-(succinimidooxycarbonyloxy)ethyl)sulfone are: (1)ACD/LogP: -3.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.26; (4)ACD/LogD (pH 7.4): -3.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 14; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 188.34Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 87.03 cm³; (14)Molar Volume: 260.3 cm³; (15)Polarizability: 34.5x10^-24cm³; (16)Surface Tension: 79.1 dyne/cm; (17)Enthalpy of Vaporization: 93.97 kJ/mol; (18)Boiling Point: 636 °C at 760 mmHg; (19)Vapour Pressure: 4.47E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(OC(=O)OCCS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O)C(=O)CC2
(2)InChI: InChI=1/C14H16N2O12S/c17-9-1-2-10(18)15(9)27-13(21)25-5-7-29(23,24)8-6-26-14(22)28-16-11(19)3-4-12(16)20/h1-8H2
(3)InChIKey: XUDGDVPXDYGCTG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H16N2O12S/c17-9-1-2-10(18)15(9)27-13(21)25-5-7-29(23,24)8-6-26-14(22)28-16-11(19)3-4-12(16)20/h1-8H2
(5)Std. InChIKey: XUDGDVPXDYGCTG-UHFFFAOYSA-N