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N,N′-Diallylthiourea

N,N′-Diallylthiourea structure

CAS No:
6601-20-3
Formula:
C7H12N2S
Chemical Name:
N,N′-Diallylthiourea
Synonyms:
Thiourea,N,N′-di-2-propen-1-yl-;Thiourea,N,N′-di-2-propenyl-;Urea,1,3-diallyl-2-thio-;N,N′-Di-2-propen-1-ylthiourea;N,N′-Bis-allylthiourea;1,3-Diallylthiourea;N,N′-Diallylthiourea;Bisallylthiocarbamide;1,3-Diallyl-2-thiourea;NSC 49252;1,3-Bis(prop-2-en-1-yl)thiourea;1,3-Bis(prop-2-enyl)thiourea
Categories:
Chemical Reagents > Organic Reagents

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N,N′-Diallylthiourea Basic Attributes

Molecular Weight：

156.25

Exact Mass：

156.25

BRN：

1754800

NSC Number：

49252

DSSTox ID：

DTXSID0064416

HScode：

2930909090

Characteristics

PSA：

56.2

XLogP3：

1.60430

Density：

0.995g/cm3

Melting Point：

49 °C

Boiling Point：

209.8ºC at 760 mmHg

Flash Point：

80.7ºC

Refractive Index：

1.529

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

N,N′-Diallylthiourea Use and Manufacturing

Manufacturing Info：

Thiourea, N,N'-di-2-propen-1-yl-: INACTIVE

Computed Properties

Molecular Weight:156.25
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:156.07211956
Monoisotopic Mass:156.07211956
Topological Polar Surface Area:56.2
Heavy Atom Count:10
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes