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Phenylthiosemicarbazide

Phenylthiosemicarbazide structure

CAS No:
645-48-7
Formula:
C7H9N3S
Chemical Name:
Phenylthiosemicarbazide
Synonyms:
Hydrazinecarbothioamide,2-phenyl-;Semicarbazide,1-phenyl-3-thio-;2-Phenylhydrazinecarbothioamide;1-Phenylthiosemicarbazide;Phenylthiosemicarbazide;1-Phenyl-3-thiosemicarbazide;NSC 179798;NSC 25003
Categories:
Chemical Reagents > Organic Reagents

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Phenylthiosemicarbazide Basic Attributes

Molecular Weight：

167.23

Exact Mass：

167.23

EC Number：

211-444-1

UNII：

6EE7260GUN

NSC Number：

179798|25003

DSSTox ID：

DTXSID9060948

HScode：

2930909090

Characteristics

PSA：

82.2

XLogP3：

2.01090

Density：

1.322 g/cm³

Melting Point：

197-198 °C

Boiling Point：

287.4ºC at 760 mmHg

Flash Point：

127.6ºC

Refractive Index：

1.726

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

VT3850000

Marks：

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Phenylthiosemicarbazide Use and Manufacturing

Methods of Manufacturing

Phenylhydrazine hydrochloride, ammonium thiocyanate and absolute ethanol are heated together, and the reaction is refluxed for 12h. Cool, filter out the precipitated precipitate, wash off the ammonium chloride with cold water, and recrystallize from ethanol to obtain anilinothiourea.

Uses

Used in organic synthesis.

Manufacturing Info：

Hydrazinecarbothioamide, 2-phenyl-: INACTIVE

Computed Properties

Molecular Weight:167.23
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:167.05171847
Monoisotopic Mass:167.05171847
Topological Polar Surface Area:82.2
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hydrazine, phenyl-

Ammonium chloride