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2-Mercapto-5-methylbenzoxazole

2-Mercapto-5-methylbenzoxazole structure

CAS No:
22876-22-8
Formula:
C8H7NOS
Chemical Name:
2-Mercapto-5-methylbenzoxazole
Synonyms:
JR-8604, 5-Methylbenzo[d]oxazole-2-thiol, 97%;SALOR-INT L470805-1EA;5-METHYL-2,3-DIHYDRO-1,3-BENZOXAZOLE-2-THIONE;5-METHYL-1,3-BENZOXAZOLE-2(3H)-THIONE;5-METHYLBENZOXAZOLINE-2-THIONE;2-MERCAPTO-5-METHYLBENZOXAZOLE;5-Methylbenzoxazoline-2-thione,97%;5-Methyl-2(3H)-benzoxazolethione, 97%

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2-Mercapto-5-methylbenzoxazole Basic Attributes

Molecular Weight：

165.21

Exact Mass：

165.02483502 g/mol

DSSTox ID：

DTXSID60351803

HScode：

2934999090

Characteristics

PSA：

61.02000

XLogP3：

2.79880

Density：

1.34±0.1 g/cm3

Melting Point：

223-225°C

Boiling Point：

260.9±33.0 °C(Predicted)

Flash Point：

111.6ºC

Refractive Index：

1.682

Vapor Pressure：

0.0119mmHg at 25°C

PKA：

11.26±0.20

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Warning|H319 (97.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:165.21
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:165.02483502
Monoisotopic Mass:165.02483502
Topological Polar Surface Area:53.4
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Mercapto-5-methylbenzoxazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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