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2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

2-Methyl-4,5-trimethylene-4-isothiazolin-3-one structure

CAS No:
82633-79-2
Formula:
C7H9NOS
Chemical Name:
2-Methyl-4,5-trimethylene-4-isothiazolin-3-one
Synonyms:
2H-Cyclopent[d]isothiazol-3(4H)-one,5,6-dihydro-2-methyl-;5,6-Dihydro-2-methyl-2H-cyclopent[d]isothiazol-3(4H)-one;Promexal W 50;MTI;2-Methyl-4,5-trimethylene-4-isothiazolin-3-one;Promexal X 50;4,5-Trimethylene-2-methyl-3-isothiazolone;Promexal;2-Methyl-4,5-trimethylene-4-isothiazoline-3-one;2-Methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one

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2-Methyl-4,5-trimethylene-4-isothiazolin-3-one Basic Attributes

Molecular Weight：

155.215

Exact Mass：

155.22

EC Number：

407-630-9

UNII：

H857315VPU

DSSTox ID：

DTXSID6032433

HScode：

2934999090

Characteristics

PSA：

45.6

XLogP3：

0.93550

Density：

1.31g/cm3

Boiling Point：

268.7ºC at 760 mmHg

Flash Point：

116.3ºC

Refractive Index：

1.628

Safety Information

hazard class code：

25-41-43-50/53

safety instructions：

22-26-36/37/39-45-60-61

Marks：

T,N

Precautionary statement(s)：

P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, and P501|P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501

Drug Information

MeSH Entry Terms：

2-methyl-4,5-trimethylene-4-isothiazolin-3-one

Computed Properties

Molecular Weight:155.22
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Exact Mass:155.04048508
Monoisotopic Mass:155.04048508
Topological Polar Surface Area:45.6
Heavy Atom Count:10
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2 2 3-dimethylpentane; phenol red; water safety data sheet; guanylate disodium; hydrogen sulfide formula; carbonyl sulfide

Guide of 2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

2-Methyl-4,5-trimethylene-4-isothiazolin-3-one

SDS

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