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1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE

1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE structure

CAS No:
15884-65-8
Formula:
C8H7NO2S
Chemical Name:
1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE
Synonyms:
BENZO[1,3]DIOXOLE-5-CARBOTHIOIC ACID AMIDE;1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE;3,4-(Methylenedioxy)thiobenzamide, 97%;2H-1,3-benzodioxole-5-carbothioaMide

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1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE Basic Attributes

Molecular Weight：

181.21

Exact Mass：

181.019745

DSSTox ID：

DTXSID00379824

HScode：

2932999099

Characteristics

PSA：

76.6

XLogP3：

0.90

Density：

1.4±0.1 g/cm3

Melting Point：

183 °C

Boiling Point：

321.5±52.0 °C at 760 mmHg

Flash Point：

148.3±30.7 °C

Refractive Index：

1.690

Safety Information

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|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:181.21
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:181.01974964
Monoisotopic Mass:181.01974964
Topological Polar Surface Area:76.6
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,3-BENZODIOXOLE-5-CARBOTHIOAMIDE

SDS

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