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1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea

1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea structure

CAS No:
61866-12-4
Formula:
C6H12ClN3O5S
Chemical Name:
1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea
Synonyms:
1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea

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1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea Basic Attributes

Molecular Weight：

273.688

Exact Mass：

273.019

NSC Number：

294896

DSSTox ID：

DTXSID20210841

Characteristics

PSA：

114

XLogP3：

0.4

Density：

1.509 (estimate)

Toxicity：

Abdominal-rat LD50: 23 mg/kg; intravenous-rat LD50: 13.8 mg/kg

Flammability characteristics：

Combustible, fire site releases toxic chloride, nitrogen oxides, sulfur oxide fumes

Safety Information

Storage features：

The warehouse is low-temperature, ventilated and dry; stored separately from food materials

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

2-(3-(2-chloroethyl)-3-nitrosoureido)ethylmethanesulfonate

Computed Properties

Molecular Weight:273.70
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:273.0186194
Monoisotopic Mass:273.0186194
Topological Polar Surface Area:114
Heavy Atom Count:16
Complexity:328
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea

Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties

1-(2-Chloroethyl)-3-(2-methylsulfonyloxyethyl)-1-nitrosourea

SDS

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