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2-methyl-1,2-benzothiazol-3-one

2-methyl-1,2-benzothiazol-3-one structure

CAS No:
2527-66-4
Formula:
C8H7NOS
Chemical Name:
2-methyl-1,2-benzothiazol-3-one
Synonyms:
2-Methyl-1,2-benzoisothiazolin-3-one;Mbit;2-methyl-1,2-benzothiazol-3-one;1,2-benzisothiazol-3(2H)-one, 2-methyl-;UNII-81PV9X5Y68;2-methyl-1,2-benzisothiazol-3(2H)-one;KUC103657N;NSC-520046;2-Methylbenzo[d]isothiazol-3(2H)-one;MLS003116052
Categories:
Active Pharmaceutical Ingredients > Drug Metabolism

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2-methyl-1,2-benzothiazol-3-one Basic Attributes

Molecular Weight：

165.21

Exact Mass：

165.024841

UNII：

81PV9X5Y68

NSC Number：

520046

DSSTox ID：

DTXSID00325841

Characteristics

PSA：

45.6 Å²

XLogP3：

1.60000

Density：

1.3±0.1 g/cm3

Melting Point：

51 °C(Solv: ligroine (8032-32-4))

Boiling Point：

294.3ºC at 760mmHg

Flash Point：

131.8±22.6 °C

Refractive Index：

1.650

Vapor Pressure：

0.00164mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 130 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P391, P405, and P501

Computed Properties

Molecular Weight:165.21
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:165.02483502
Monoisotopic Mass:165.02483502
Topological Polar Surface Area:45.6
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-methyl-1,2-benzothiazol-3-one 20%

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CAS No.: 2527-66-4

Grade: Industrial Grade

Content: 20%

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Guide of 2-methyl-1,2-benzothiazol-3-one

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Characteristics
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Computed Properties
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