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2-PYRIDYLTHIOUREA

2-PYRIDYLTHIOUREA structure

CAS No:
14294-11-2
Formula:
C6H7N3S
Chemical Name:
2-PYRIDYLTHIOUREA
Synonyms:
AKOS BBS-00007311;1-(2-PYRIDYL)-2-THIOUREA;1-PYRIDIN-2-YLTHIOUREA;2-PYRIDYLTHIOUREA;N-PYRIDIN-2-YLTHIOUREA;N-(2-Pyridyl)thiourea, 98%;Thiourea,N-2-pyridinyl-;N-2-Pyridinyl-Thiourea
Categories:
Chemical Reagents > Organic Reagents

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2-PYRIDYLTHIOUREA Basic Attributes

Molecular Weight：

153.2

Exact Mass：

153.036072

BRN：

117849

EC Number：

-0

NSC Number：

176341

DSSTox ID：

DTXSID40363424

HScode：

2933399090

Characteristics

PSA：

XLogP3：

0.6

Density：

1.4±0.1 g/cm3

Melting Point：

148-150°C

Boiling Point：

298.7ºC at 760mmHg

Flash Point：

134.4±25.1 °C

Refractive Index：

1.742

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (14.58%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-PYRIDYLTHIOUREA Use and Manufacturing

A suspension of N-(pyridin-2-ylcarbamothioyl)benzamide (2.3 g, 8.95 mmol) in10percent aq. NaOH solution (10.4 mL, 26 mmol) was stirred at room temperature for 10 mm, and was then heated to reflux for an additional 10 mm. The mixture was cooled to 0 oC, diluted in water (100 mL) and extracted with EtOAc (3 x 150 mL). The combined organic extracts were dried over anhydrous Mg504, filtered and concentrated to afford the crude title compound(1.2 g). MS (ES) m/z (M+H).

Computed Properties

Molecular Weight:153.21
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:153.03606841
Monoisotopic Mass:153.03606841
Topological Polar Surface Area:83
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 14294-11-2

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