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2,3-Dihydro-5-benzofurancarbothioamide

2,3-Dihydro-5-benzofurancarbothioamide structure

CAS No:
306936-08-3
Formula:
C9H9NOS
Chemical Name:
2,3-Dihydro-5-benzofurancarbothioamide
Synonyms:
5-Benzofurancarbothioamide,2,3-dihydro-;2,3-Dihydro-5-benzofurancarbothioamide;2,3-Dihydro-1-benzofuran-5-carbothioamide

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2,3-Dihydro-5-benzofurancarbothioamide Basic Attributes

Molecular Weight：

179.24

Exact Mass：

179.24

DSSTox ID：

DTXSID40371140

Characteristics

Density：

1.316±0.06 g/cm3

Melting Point：

145 °C

Boiling Point：

334.6±52.0 °C(Predicted)

PKA：

13.03±0.20

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:179.24
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:179.04048508
Monoisotopic Mass:179.04048508
Topological Polar Surface Area:67.3
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-Dihydro-5-benzofurancarbothioamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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