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Benzoylthiourea

Benzoylthiourea structure

CAS No:
614-23-3
Formula:
C8H8N2OS
Chemical Name:
Benzoylthiourea
Synonyms:
Benzamide,N-(aminothioxomethyl)-;Urea,1-benzoyl-2-thio-;N-(Aminothioxomethyl)benzamide;1-Benzoyl-2-thiourea;Benzoylthiourea;N-Benzoylthiourea;Necacyl;1-Benzoylthiourea;NSC 5784;1400-50-6
Categories:
Chemical Reagents > Organic Reagents

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Benzoylthiourea Basic Attributes

Molecular Weight：

180.23

Exact Mass：

180.23

BRN：

1942772

EC Number：

-0

UNII：

12K7CS1DAM

NSC Number：

5784

DSSTox ID：

DTXSID90210318

Characteristics

PSA：

87.2

XLogP3：

0.73

Density：

1.3±0.1 g/cm3

Melting Point：

171-172 °C

Boiling Point：

319.5ºC at 760 mmHg

Refractive Index：

1.653

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

hazard class code：

safety instructions：

22-36/37

RTECS Number：

YS1450000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H317 (92.86%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P271, P272, P280, P302+P352, P304+P312, P304+P340, P312, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 15 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 8 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

N-benzoylthiourea

Computed Properties

Molecular Weight:180.23
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:180.03573406
Monoisotopic Mass:180.03573406
Topological Polar Surface Area:87.2
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes