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4-hydroxy-3H-1,3-benzoxazole-2-thione

4-hydroxy-3H-1,3-benzoxazole-2-thione structure

CAS No:
73713-92-5
Formula:
C7H5NO2S
Chemical Name:
4-hydroxy-3H-1,3-benzoxazole-2-thione
Synonyms:
2-BENZOXAZOLETHIOL,4-HYDROXY; 4-hydroxy-3H-benzoxazole-2-thione; 4-Hydroxy-3H-benzoxazol-2-thion; 4-Hydroxy-2-benzoxazolethiol; WLN: T56 BN DOJ CSH IQ;

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4-hydroxy-3H-1,3-benzoxazole-2-thione Basic Attributes

Molecular Weight：

167.18500

Exact Mass：

167.00409958

UNII：

2MBI8Y7D07

NSC Number：

77357

DSSTox ID：

DTXSID20224029

HScode：

2934999090

Characteristics

PSA：

85.06000

XLogP3：

1.82210

Density：

1.61g/cm3

Boiling Point：

290.2ºC at 760 mmHg

Flash Point：

129.3ºC

Refractive Index：

1.776

Safety Information

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:167.19
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:167.00409958
Monoisotopic Mass:167.00409958
Topological Polar Surface Area:73.6
Heavy Atom Count:11
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-hydroxy-3H-1,3-benzoxazole-2-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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