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N-(Phenylmethyl)thiourea

N-(Phenylmethyl)thiourea structure

CAS No:
621-83-0
Formula:
C8H10N2S
Chemical Name:
N-(Phenylmethyl)thiourea
Synonyms:
Thiourea,N-(phenylmethyl)-;Urea,1-benzyl-2-thio-;Thiourea,(phenylmethyl)-;N-(Phenylmethyl)thiourea;Benzylthiourea;N-Benzylthiourea;1-Benzylthiourea;NSC 15510
Categories:
Chemical Reagents > Organic Reagents

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N-(Phenylmethyl)thiourea Basic Attributes

Molecular Weight：

166.24

Exact Mass：

166.24

BRN：

972372

EC Number：

210-709-9

UNII：

MRP6Y7412K

NSC Number：

15510

DSSTox ID：

DTXSID40211158

HScode：

2930909090

Characteristics

PSA：

70.1

XLogP3：

2.11100

Density：

1.189g/cm3

Melting Point：

82-82.5 °C

Boiling Point：

300.9ºC at 760 mmHg

Flash Point：

135.8ºC

Refractive Index：

1.638

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG III

hazard class code：

safety instructions：

22-36/37

Precautionary statement(s)：

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

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

benzylthiourea

Computed Properties

Molecular Weight:166.25
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:166.05646950
Monoisotopic Mass:166.05646950
Topological Polar Surface Area:70.1
Heavy Atom Count:11
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes