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N-Butylthiourea

N-Butylthiourea structure

CAS No:
1516-32-1
Formula:
C5H12N2S
Chemical Name:
N-Butylthiourea
Synonyms:
Thiourea,N-butyl-;Urea,1-butyl-2-thio-;Thiourea,butyl-;N-Butylthiourea;Butylthiourea;1-Butyl-2-thiourea;1-Butylthiourea;NSC 202953
Categories:
Chemical Reagents > Organic Reagents

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N-Butylthiourea Basic Attributes

Molecular Weight：

132.23

Exact Mass：

132.23

BRN：

1744779

EC Number：

216-165-9

UNII：

4DX8I3D6G6

NSC Number：

202953

DSSTox ID：

DTXSID5061744

HScode：

2930909090

Characteristics

PSA：

70.1

XLogP3：

1.71090

Density：

1.005 (estimate)

Melting Point：

79 °C

Boiling Point：

245°C (estimate)

Flash Point：

76.1ºC

Refractive Index：

1.5300 (estimate)

Toxicity：

Peritoneal-mouse LD50: 300 mg/kg

Flammability characteristics：

Thermal decomposition emits toxic nitrogen oxides and sulfur oxide fumes

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

2811

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

YS4375000

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

N-Butylthiourea Use and Manufacturing

Manufacturing Info：

Thiourea, N-butyl-: INACTIVE

Computed Properties

Molecular Weight:132.23
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:132.07211956
Monoisotopic Mass:132.07211956
Topological Polar Surface Area:70.1
Heavy Atom Count:8
Complexity:72.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes