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2-Mercapto-5-methoxybenzothiazole

2-Mercapto-5-methoxybenzothiazole structure

CAS No:
55690-60-3
Formula:
C8H7NOS2
Chemical Name:
2-Mercapto-5-methoxybenzothiazole
Synonyms:
2(3H)-Benzothiazolethione,5-methoxy-;5-Methoxy-2(3H)-benzothiazolethione;2-Mercapto-5-methoxybenzothiazole;5-Methoxy-2-benzothiazolethiol;5-Methoxy-2-mercaptobenzothiazole;5-Methoxy-1,3-benzothiazole-2-thiol

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2-Mercapto-5-methoxybenzothiazole Basic Attributes

Molecular Weight：

197.28

Exact Mass：

197.28

EC Number：

259-755-1

DSSTox ID：

DTXSID40204222

Characteristics

Density：

1.44±0.1 g/cm3

Melting Point：

190-192 °C @ Solvent: Chloroform, Ligroine

Boiling Point：

340.8±44.0 °C(Predicted)

Water Solubility：

Insoluble in water.

PKA：

9.27±0.20

Safety Information

Hazard category：

IRRITANT

safety instructions：

22-24/25

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:197.3
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:196.99690619
Monoisotopic Mass:196.99690619
Topological Polar Surface Area:78.6
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Mercapto-5-methoxybenzothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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