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N-1,3-Benzodioxol-5-ylthiourea

N-1,3-Benzodioxol-5-ylthiourea structure

CAS No:
65069-55-8
Formula:
C8H8N2O2S
Chemical Name:
N-1,3-Benzodioxol-5-ylthiourea
Synonyms:
Thiourea,N-1,3-benzodioxol-5-yl-;Thiourea,1,3-benzodioxol-5-yl-;N-1,3-Benzodioxol-5-ylthiourea;3,4-Methylenedioxyphenylthiourea;1-(1,3-Benzodioxol-5-yl)thiourea;N-(1,3-Benzodioxol-5-yl)thiourea;1,3-Benzodioxol-5-ylthiourea;(1,3-Dioxaindan-5-yl)thiourea;1-(Benzo[d][1,3]dioxol-5-yl)thiourea;(2H-1,3-Benzodioxol-5-yl)thiourea
Categories:
Chemical Reagents > Organic Reagents

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N-1,3-Benzodioxol-5-ylthiourea Basic Attributes

Molecular Weight：

196.23

Exact Mass：

196.23

DSSTox ID：

DTXSID10362989

HScode：

2932999099

Characteristics

PSA：

88.6

XLogP3：

1.84410

Density：

1.524 g/cm3

Melting Point：

190-193 °C @ Solvent: Water

Boiling Point：

329.6ºC at 760 mmHg

Flash Point：

153.2ºC

Refractive Index：

1.757

Water Solubility：

>29.4 [ug/mL]

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (50%): 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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:196.23
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:196.03064868
Monoisotopic Mass:196.03064868
Topological Polar Surface Area:88.6
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-1,3-Benzodioxol-5-ylthiourea

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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N-1,3-Benzodioxol-5-ylthiourea

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