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1-OCTYL-2-THIOUREA

1-OCTYL-2-THIOUREA structure

CAS No:
13281-03-3
Formula:
C9H20N2S
Chemical Name:
1-OCTYL-2-THIOUREA
Synonyms:
1-OCTYL-2-THIOUREA
Categories:
Chemical Reagents > Organic Reagents

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1-OCTYL-2-THIOUREA Basic Attributes

Molecular Weight：

188.33

Exact Mass：

188.13500

DSSTox ID：

DTXSID50365252

HScode：

2930909090

Characteristics

PSA：

70.1

XLogP3：

3.27130

Density：

0.967±0.06 g/cm3(Predicted)

Melting Point：

94-96°C

Boiling Point：

277.1±23.0 °C(Predicted)

Flash Point：

121.4ºC

Refractive Index：

1.509

Safety Information

Hazard category：

IRRITANT

hazard class code：

20/21/22

safety instructions：

26-36/37/39

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

Computed Properties

Molecular Weight:188.34
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:188.13471982
Monoisotopic Mass:188.13471982
Topological Polar Surface Area:70.1
Heavy Atom Count:12
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes