1-isothiocyanato-2-methanesulfonylethane, 95%

Name: 1-isothiocyanato-2-methanesulfonylethane
Brand: Chempure

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CAS Number

1086228-14-9

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About this item

IUPAC name	1-isothiocyanato-2-methylsulfonylethane
inchi	InChI=1S/C4H7NO2S2/c1-9(6,7)3-2-5-4-8/h2-3H2,1H3
inchi key	PXVHQFMYBFOZMY-UHFFFAOYSA-N
molecular formula	C4H7NO2S2
synonyms	1-isothiocyanato-2-methanesulfonylethane 1086228-14-9 1-isothiocyanato-2-methylsulfonylethane SCHEMBL18225463 AKOS010142272

Computed Properties

Molecular Weight:	165.2 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	164.99182081 g/mol
Monoisotopic Mass:	164.99182081 g/mol
Topological Polar Surface Area:	87 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	207
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Dam. 1 (100%) Resp. Sens. 1 (100%)
precautionary statement codes	P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AZ4750

1-isothiocyanato-2-methanesulfonylethane, 95%

Product No: AZ4750

About this item

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Certificate of Analysis

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Product No: AZ4750

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?